SCHEMBL6178426

SCHEMBL6178426

CCc1ccccc1CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.56
KDM4E B2RXH2 1/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
GSK3B P49841 1/20 0.42
SRC P12931 1/20 0.41
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
NAMPT P43490 1/20 0.40
GRM5 P41594 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 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
SCHEMBL4329813 0.92 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4338017 0.91 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6179743 0.91 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4329196 0.91 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL13785079 0.90 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4338463 0.90 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4339530 0.89 MAPK14 (0.53) MAPK14CSNK1DMAPT
SCHEMBL7134239 0.89 MAPK14 (0.52) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6177398 0.89 MAPK14 (0.52) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6176508 0.89 MAPK14 (0.52) MAPK14KDM4ECSNK1DCSNK1EMAPT

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 2 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