SCHEMBL9980459

SCHEMBL9980459

CN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C.CS(=O)(=O)O

nearest known ligand 0.77

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 7)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 3/20 0.77
KIT known ✓ P10721 3/20 0.77
FLT3 P36888 16/20 0.77
CSF1R P07333 15/20 0.77
PDGFRA P16234 3/20 0.77
RET P07949 3/20 0.45
NTRK1 P04629 1/20 0.44

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
SCHEMBL9980487 0.97 FLT3 (0.81) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978579 0.93 FLT3 (0.79) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978918 0.91 FLT3 (0.66) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978913 0.91 CSF1R (0.76) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL20484791 0.90 FLT3 (0.94) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698796 0.90 FLT3 (0.94) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL12067861 0.90 CSF1R (0.70) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9980593 0.90 CSF1R (0.70) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978760 0.90 FLT3 (0.83) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9980560 0.88 FLT3 (0.67) FLT3CSF1RPDGFRBKITPDGFRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO claimed
WO-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO disclosed