SCHEMBL6177522

SCHEMBL6177522

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
SRC P12931 5/20 0.45
BRAF P15056 5/20 0.45
KDR P35968 5/20 0.45
RIPK2 O43353 1/20 0.45
EGFR P00533 1/20 0.45
TNK2 Q07912 1/20 0.45
PTK6 Q13882 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
P2RX7 Q99572 4/20 0.42
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.40
CSNK1D P48730 2/20 0.40
CSNK1E P49674 2/20 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
SCHEMBL6176783 0.93 MAPK14 (0.50) MAPK14SRCBRAFKDRRIPK2
SCHEMBL4330915 0.92 MAPK14 (0.48) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6178911 0.91 MAPK14 (0.48) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6178635 0.91 MAPK14 (0.48) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6176304 0.88 MAPK14 (0.46) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6176462 0.88 MAPK14 (0.46) MAPK14SRCBRAFKDRRIPK2
SCHEMBL4338017 0.88 MAPK14 (0.55) MAPK14EGFRKDM4ECSNK1DCSNK1E
SCHEMBL6178358 0.87 P2RX7 (0.46) MAPK14P2RX7NAMPT
SCHEMBL6177910 0.87 MAPK14 (0.50) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6177480 0.87 SRC (0.46) 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