SCHEMBL6180619

SCHEMBL6180619

Cn1cccc1CC(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.53
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 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
GRM5 P41594 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
SCHEMBL6176832 0.86 MAPK14 (0.63) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6179169 0.86 MAPK14 (0.63) MAPK14KDM4EGAACSNK1DCSNK1E
SCHEMBL4343331 0.86 MAPK14 (0.71) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4335755 0.85 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6177735 0.85 MAPK14 (0.53) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL7138225 0.84 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL7134709 0.84 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL6178426 0.84 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4329813 0.84 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1EEGFR
SCHEMBL4337064 0.84 MAPK14 (0.57) MAPK14KDM4ECSNK1DCSNK1EGRM5

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