SCHEMBL7145536

SCHEMBL7145536

OCCCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.89
MAPK11 Q15759 6/20 0.55
MAP4K4 O95819 3/20 0.55
MAPK9 P45984 2/20 0.44
CSNK1A1 P48729 2/20 0.44
CSNK1D P48730 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
CDC42BPA Q5VT25 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
GCGR P47871 1/20 0.41
MAPK10 P53779 1/20 0.40
PRKD3 O94806 1/20 0.39
FRK P42685 1/20 0.39
GSK3B P49841 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL5999009 0.97 MAPK14 (0.91) MAPK14MAPK11MAP4K4MAPK9CSNK1A1
Rwj-67657 SCHEMBL162010 0.94 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK9CSNK1A1
SCHEMBL12856400 0.94 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK9CSNK1A1
Rwj-67657 SCHEMBL5815060 0.94 MAPK14 (0.98) MAPK14MAPK11MAP4K4MAPK9CSNK1A1
SCHEMBL5998654 0.93 MAPK14 (0.87) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5820266 0.91 MAPK14 (0.85) MAPK14MAPK11MAP4K4MAPK9CSNK1A1
SCHEMBL7136973 0.90 MAPK14 (0.78) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL1127681 0.90 MAPK14 (0.81) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5997587 0.89 MAPK14 (0.80) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL13035057 0.89 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12

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-1028954-B1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO MCNEIL PHARM INC (US) 2003-07-02 EP claimed
EP-1028954-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-23 EP claimed
US-5965583-A ANTIINFLAMMATORY AGENTS IN THE TREATMENT OF DISEASES ASSOCIATED WITH OVERPRODUCTION OF INFLAMMATORY CYTOKINES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-12 US claimed
WO-1998047892-A1 SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 WO claimed