SCHEMBL6177910

SCHEMBL6177910

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.50
NAMPT P43490 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
SRC P12931 2/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
RIPK2 O43353 1/20 0.41
EGFR P00533 1/20 0.41
TNK2 Q07912 1/20 0.41
PTK6 Q13882 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
GRM5 P41594 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL4330915 0.94 MAPK14 (0.48) MAPK14NAMPTSRCBRAFKDR
SCHEMBL6178427 0.92 MAPK14 (0.51) MAPK14NAMPTCSNK1DCSNK1EGRM5
SCHEMBL6176783 0.90 MAPK14 (0.50) MAPK14NAMPTCSNK1DCSNK1ESRC
SCHEMBL4331477 0.89 MAPK14 (0.51) MAPK14NAMPTCSNK1DCSNK1ESRC
SCHEMBL6178911 0.87 MAPK14 (0.48) MAPK14NAMPTCSNK1DCSNK1ESRC
SCHEMBL6177522 0.87 MAPK14 (0.50) MAPK14NAMPTCSNK1DCSNK1ESRC
SCHEMBL6178635 0.87 MAPK14 (0.48) MAPK14NAMPTCSNK1DCSNK1ESRC
SCHEMBL4329813 0.87 MAPK14 (0.56) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL6176923 0.86 P2RX7 (0.45) MAPK14NAMPTGALR3NR2F2TRPV1
SCHEMBL4338017 0.86 MAPK14 (0.55) MAPK14CSNK1DCSNK1EEGFRKDM4E

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