SCHEMBL6180262

SCHEMBL6180262

COc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.56
SRC P12931 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
ROCK1 Q13464 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.45
WNT3A P56704 1/20 0.45
TP53 P04637 1/20 0.45
NOD2 Q9HC29 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRKACA P17612 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MAPK8 P45983 2/20 0.43
RIPK3 Q9Y572 1/20 0.43
MAPK10 P53779 1/20 0.42

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
SCHEMBL6179169 0.93 MAPK14 (0.63) MAPK14ROCK1KMT2AMAPTWNT3A
SCHEMBL6176832 0.91 MAPK14 (0.63) MAPK14ROCK1MAPTWNT3APRKACA
SCHEMBL7136601 0.91 MAPK14 (0.55) MAPK14SRCBRAFKDRROCK1
SCHEMBL6177029 0.89 MAPK14 (0.59) MAPK14ROCK1KMT2AMAPTWNT3A
SCHEMBL6177703 0.89 MAPK14 (0.55) MAPK14ROCK1MEN1KMT2AALDH1A1
SCHEMBL6178768 0.88 MAPK14 (0.58) MAPK14ROCK1KMT2AMAPTWNT3A
SCHEMBL7137615 0.88 MAPK14 (0.58) MAPK14ROCK1KMT2AMAPTWNT3A
SCHEMBL4343331 0.88 MAPK14 (0.71) MAPK14SRCBRAFKDRROCK1
SCHEMBL6177721 0.88 MAPK14 (0.52) MAPK14MEN1KMT2AMAPTALDH1A1
SCHEMBL6175483 0.87 MAPK14 (0.61) MAPK14

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