SCHEMBL7611282

SCHEMBL7611282

CCC(N1CCOCC1)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.65
MAPK13 O15264 9/20 0.65
MAPK12 P53778 9/20 0.65
MAPK11 Q15759 9/20 0.65
JAK2 O60674 1/20 0.43

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
SCHEMBL24171071 0.89 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7607069 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8220907 0.79 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8860264 0.77 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
Morpholine SCHEMBL4585315 0.77 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4585949 0.72 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8860473 0.70 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL8169816 0.70 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL20550934 0.70 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL24170788 0.69 PRKD3 (0.54) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP claimed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP claimed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO claimed
EP-1264827-A1 Process for the preparation of Tosylbenzylformamides SMITHKLINE BEECHAM CORPORATION (US) 2002-12-11 EP disclosed