SCHEMBL1138428

SCHEMBL1138428

CS(=O)(=O)O.Cc1cccc(C)c1CNc1cc(C(=O)NC(C)O)cn2c(C)c(C)nc12

nearest known ligand 0.68

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.68
CYP2C9 P11712 20/20 0.68
CYP2D6 P10635 10/20 0.68
CYP2C19 P33261 8/20 0.60
CYP1A2 P05177 7/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1138350 0.96 CYP3A4 (0.72) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4591614 0.90 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1381723 0.89 CYP3A4 (0.71) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6923311 0.89 CYP3A4 (0.71) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Linaprazan SCHEMBL1138430 0.85 CYP3A4 (0.93) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4591548 0.85 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL3274128 0.85 CYP3A4 (0.76) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6922991 0.84 CYP3A4 (0.83) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL1381726 0.83 CYP3A4 (0.68) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL6923313 0.83 CYP3A4 (0.68) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697360-B1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. ASTRAZENECA AB (SE) 2011-02-23 EP claimed
US-7459463-B2 Crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-N-hydroxyethyl-imidazo[1,2-a] pyridine-6-carboxamide mesylate salt ASTRAZENECA AB (SE) 2008-12-02 US claimed
JP-2007514744-A 2007-06-07 JP claimed
US-20070112021-A1 Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl- imidazo [1,2-a] pyridine-6-carboxamide mesylate salt TRAZENECA AB (SE) 2007-05-17 US claimed
EP-1697360-A1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. AstraZeneca AB (SE) 2006-09-06 EP claimed
EP-1073657-B1 IMIDAZO PYRIDINE DERIVATIVES WHICH INHIBIT GASTRIC ACID SECRETION ASTRAZENECA AB (SE) 2005-12-07 EP claimed
WO-2005058895-A1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO [1, 2-A] PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. ASTRAZENECA AB (SE) 2005-06-30 WO claimed
CN-1894246-B Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl-imidazo[1,2-a]pyridine-6-carboxamide mesylate salt ASTRAZENECA AB 2011-06-22 CN disclosed
EP-1697360-B1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. ASTRAZENECA AB (SE) 2011-02-23 EP disclosed
EP-1697360-B1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. ASTRAZENECA AB (SE) 2011-02-23 EP disclosed
US-7459463-B2 Crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-N-hydroxyethyl-imidazo[1,2-a] pyridine-6-carboxamide mesylate salt ASTRAZENECA AB (SE) 2008-12-02 US disclosed
US-7459463-B2 Crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-N-hydroxyethyl-imidazo[1,2-a] pyridine-6-carboxamide mesylate salt ASTRAZENECA AB (SE) 2008-12-02 US disclosed
US-20070112021-A1 Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl- imidazo [1,2-a] pyridine-6-carboxamide mesylate salt TRAZENECA AB (SE) 2007-05-17 US disclosed
US-20070112021-A1 Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl- imidazo [1,2-a] pyridine-6-carboxamide mesylate salt TRAZENECA AB (SE) 2007-05-17 US disclosed
CN-1894246-A Novel crystalline forms of 2,3-dimethyl-8-(2,6-dimethylbenzylamino)-n-hydroxyethyl-imidazo[1,2-a]pyridine-6-carboxamide mesylate salt ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
EP-1697360-A1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. AstraZeneca AB (SE) 2006-09-06 EP disclosed
EP-1697360-A1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO 1, 2-A PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005058895-A1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO [1, 2-A] PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. ASTRAZENECA AB (SE) 2005-06-30 WO disclosed
WO-2005058895-A1 NOVEL CRYSTALLINE FORMS OF 2, 3 DIMETHYL-8- (2, 6-DIMETHYLBENZYLAMINO) -N-HYDROXYETHYL-IMIDAZO [1, 2-A] PYRIDINE-6-CARBOXAMIDE MESYLATE SALT. ASTRAZENECA AB (SE) 2005-06-30 WO disclosed