SCHEMBL6180582

SCHEMBL6180582

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1cccc(N)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.57
ROCK1 Q13464 2/20 0.48
PRKACA P17612 1/20 0.42
RIPK1 Q13546 3/20 0.42
SRC P12931 2/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL6180478 0.92 MAPK14 (0.60) MAPK14ROCK1PRKACAMAPTKDM4E
SCHEMBL6174869 0.89 MAPK14 (0.57) MAPK14ROCK1PRKACAMAPTKDM4E
SCHEMBL4343331 0.88 MAPK14 (0.71) MAPK14ROCK1PRKACASRCBRAF
SCHEMBL6178834 0.87 MAPK14 (0.55) MAPK14RIPK1SRCBRAFKDR
SCHEMBL6177703 0.87 MAPK14 (0.55) MAPK14ROCK1PRKACA
SCHEMBL6179169 0.87 MAPK14 (0.63) MAPK14ROCK1PRKACAMAPTKDM4E
SCHEMBL6176832 0.87 MAPK14 (0.63) MAPK14ROCK1PRKACAMAPTKDM4E
SCHEMBL6175821 0.87 MAPK14 (0.56) MAPK14ROCK1PRKACASRCBRAF
SCHEMBL4337064 0.86 MAPK14 (0.57) MAPK14ROCK1PRKACAMAPTKDM4E
SCHEMBL6179322 0.86 MAPK14 (0.54) MAPK14ROCK1PRKACASRCBRAF

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