SCHEMBL6179749

SCHEMBL6179749

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.50
CSNK1D P48730 3/20 0.45
CSNK1E P49674 3/20 0.45
SRC P12931 1/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
GSK3B P49841 1/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GRM5 P41594 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
RIPK3 Q9Y572 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
SCHEMBL4329823 0.90 MAPK14 (0.50) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL4329207 0.90 MAPK14 (0.50) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL4338023 0.89 MAPK14 (0.49) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL4338469 0.89 MAPK14 (0.49) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL4339540 0.88 MAPK14 (0.48) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL6178432 0.87 LMNA (0.53) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL6176515 0.87 MAPK14 (0.48) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL7134246 0.86 MAPK14 (0.47) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL6178126 0.85 MAPK14 (0.46) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL6178590 0.85 MAPK14 (0.56) MAPK14CSNK1DCSNK1ESRCBRAF

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