SCHEMBL7486308

SCHEMBL7486308

CC(C)c1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)n2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.52
GSK3B P49841 2/20 0.52
MAPK14 Q16539 8/20 0.49
KDM4E B2RXH2 1/20 0.48
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
RAF1 P04049 1/20 0.47
MAPK9 P45984 1/20 0.47
EGFR P00533 1/20 0.45
KCNH2 Q12809 1/20 0.45
CDK4 P11802 2/20 0.44
CDK2 P24941 2/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 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
SCHEMBL4114860 0.92 EIF2AK2 (0.54) EIF2AK2GSK3BMAPK14KDM4EPIK3CA
SCHEMBL6590583 0.89 GSK3B (0.48) EIF2AK2GSK3BMAPK14PIK3CAPIK3CG
SCHEMBL7485716 0.84 MAPK14 (0.63) EIF2AK2GSK3BMAPK14MAPK13MAPK12
SCHEMBL6604144 0.81 CDK2 (0.55) EIF2AK2GSK3BEGFRCDK4CDK2
SCHEMBL7805607 0.79 MAPK14 (0.49) MAPK14KDM4E
SCHEMBL1387838 0.78 MAPK14 (0.54) MAPK14KDM4EMAPK13MAPK12MAPK11
SCHEMBL7482928 0.78 MAPK14 (0.54) EIF2AK2GSK3BMAPK14MAPK13MAPK12
SCHEMBL7486651 0.78 MAPK14 (0.56) EIF2AK2GSK3BMAPK14MAPK13MAPK12
SCHEMBL7500317 0.77 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL9648933 0.76 KDM4E (0.82) GSK3BMAPK14KDM4EMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037639-A4 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORP (US) 2002-04-17 EP claimed
EP-1037639-A1 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 2000-09-27 EP claimed
WO-1999032121-A1 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1999-07-01 WO claimed
EP-1037639-A4 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORP (US) 2002-04-17 EP disclosed
EP-1037639-A1 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 2000-09-27 EP disclosed
WO-1999032121-A1 COMPOUNDS OF HETEROARYL SUBSTITUTED IMIDAZOLE, THEIR PHARMACEUTICAL COMPOSITIONS AND USES SMITHKLINE BEECHAM CORPORATION (US) 1999-07-01 WO disclosed