SCHEMBL6176476

SCHEMBL6176476

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPK14 Q16539 5/20 0.46
POLQ O75417 4/20 0.45
MAPT P10636 5/20 0.44
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
MAPK1 P28482 1/20 0.43
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
SCN9A Q15858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL6176304 0.91 MAPK14 (0.46) KDM4EMAPK14MAPTSRCBRAF
SCHEMBL6176508 0.88 MAPK14 (0.52) KDM4EMAPK14MAPTCSNK1DCSNK1E
SCHEMBL6177339 0.85 MAPK14 (0.53) KDM4EMAPK14MAPTSRCBRAF
SCHEMBL6178834 0.85 MAPK14 (0.55) KDM4EMAPK14MAPTSRCBRAF
SCHEMBL6178427 0.84 MAPK14 (0.51) KDM4EMAPK14MAPTCSNK1DCSNK1E
SCHEMBL6176783 0.83 MAPK14 (0.50) KDM4EMAPK14SRCBRAFKDR
SCHEMBL6175417 0.83 MAPK14 (0.49) KDM4EMAPK14MAPTCSNK1DCSNK1E
SCHEMBL4331477 0.82 MAPK14 (0.51) KDM4EMAPK14MAPTSRCBRAF
SCHEMBL4330915 0.82 MAPK14 (0.48) KDM4EMAPK14SRCBRAFKDR
SCHEMBL6177910 0.81 MAPK14 (0.50) KDM4EMAPK14SRCBRAFKDR

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