SCHEMBL6178643

SCHEMBL6178643

Cc1ccc(C(Cl)C(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.48
CSNK1D P48730 4/20 0.47
CSNK1E P49674 4/20 0.47
CSNK1A1 P48729 1/20 0.47
SRC P12931 1/20 0.47
BRAF P15056 1/20 0.47
KDR P35968 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.42
GRM5 P41594 1/20 0.42
MAPT P10636 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NAMPT P43490 1/20 0.38

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
SCHEMBL6176790 0.96 MAPK14 (0.52) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL4330919 0.92 MAPK14 (0.48) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL6178919 0.92 MAPK14 (0.48) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL6177527 0.91 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL4338023 0.91 MAPK14 (0.49) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL6176467 0.89 SRC (0.49) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL6178366 0.88 MAPK14 (0.44) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL6177486 0.88 SRC (0.51) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL6176926 0.87 MAPK14 (0.43) MAPK14CSNK1DCSNK1ESRCBRAF
SCHEMBL6178431 0.84 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECSNK1A1SRC

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