SCHEMBL6177746

SCHEMBL6177746

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(F)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.47
CSNK1D P48730 6/20 0.41
CSNK1E P49674 6/20 0.41
CSNK1A1 P48729 1/20 0.40
MAPT P10636 2/20 0.39
GRM5 P41594 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.38
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL6173808 0.89 MAPT (0.36) MAPK14CSNK1DCSNK1EMAPTNPSR1
SCHEMBL4335760 0.87 MAPK14 (0.48) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL6178431 0.86 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL4329823 0.83 MAPK14 (0.50) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL4331483 0.82 MAPK14 (0.47) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL6178590 0.82 MAPK14 (0.56) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL6177916 0.81 MAPK14 (0.48) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL6176790 0.79 MAPK14 (0.52) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL6175422 0.79 MAPK14 (0.52) MAPK14CSNK1DCSNK1ECSNK1A1MAPT
SCHEMBL4334128 0.78 MAPK14 (0.47) MAPK14CSNK1DCSNK1EMAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed