SCHEMBL6178366

SCHEMBL6178366

Cn1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccncc2)c1NC(=O)C(Cl)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.44
SRC P12931 3/20 0.40
BRAF P15056 3/20 0.40
KDR P35968 3/20 0.40
RIPK2 O43353 1/20 0.40
EGFR P00533 1/20 0.40
TNK2 Q07912 1/20 0.40
PTK6 Q13882 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
CSNK1D P48730 3/20 0.39
CSNK1E P49674 3/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
GRM5 P41594 1/20 0.39
MAPT P10636 1/20 0.39
MAP3K14 Q99558 1/20 0.38
PPP1CA P62136 1/20 0.38
NAMPT P43490 1/20 0.37
CSNK1A1 P48729 1/20 0.37

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
SCHEMBL6176926 0.93 MAPK14 (0.43) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6176790 0.92 MAPK14 (0.52) MAPK14SRCBRAFKDRCSNK1D
SCHEMBL4330919 0.90 MAPK14 (0.48) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6178643 0.88 MAPK14 (0.48) MAPK14SRCBRAFKDRCSNK1D
SCHEMBL6178919 0.88 MAPK14 (0.48) MAPK14SRCBRAFKDRCSNK1D
SCHEMBL6177527 0.87 MAPK14 (0.53) MAPK14SRCBRAFKDRRIPK2
SCHEMBL4338023 0.87 MAPK14 (0.49) MAPK14SRCBRAFKDREGFR
SCHEMBL6179168 0.87 NR3C1 (0.40) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6176467 0.86 SRC (0.49) MAPK14SRCBRAFKDRCSNK1D
SCHEMBL6177486 0.84 SRC (0.51) MAPK14SRCBRAFKDRRIPK2

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