SCHEMBL6178590

SCHEMBL6178590

CC(C)C(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
CSNK1D P48730 5/20 0.47
CSNK1E P49674 4/20 0.47
GRM5 P41594 1/20 0.46
MAPT P10636 1/20 0.46
MLYCD O95822 1/20 0.45
CSNK1A1 P48729 1/20 0.44
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
SRC P12931 2/20 0.43
BRAF P15056 2/20 0.43
KDR P35968 2/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL6178431 0.87 MAPK14 (0.53) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL4329207 0.87 MAPK14 (0.50) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL6175422 0.86 MAPK14 (0.52) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL6176790 0.86 MAPK14 (0.52) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL7138225 0.85 MAPK14 (0.55) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL7816839 0.85 MAPK14 (0.55) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL4329823 0.85 MAPK14 (0.50) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL6179749 0.85 MAPK14 (0.50) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL6177406 0.84 MAPK14 (0.47) MAPK14CSNK1DCSNK1EGRM5MAPT
SCHEMBL4338469 0.84 MAPK14 (0.49) MAPK14CSNK1DCSNK1EGRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326848-C Aminopyrazole derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2007-07-18 CN disclosed
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
CN-1331688-A Aminopyridine Derivatives TEIKOKU HORMONE MFG CO LTD (JP) 2002-01-16 CN disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed