SCHEMBL6177735

SCHEMBL6177735

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.53
KDM4E B2RXH2 1/20 0.45
CSNK1D P48730 3/20 0.44
CSNK1E P49674 3/20 0.44
GRM5 P41594 1/20 0.42
MAPT P10636 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
NAMPT P43490 1/20 0.40
CSNK1A1 P48729 1/20 0.40
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4335755 0.90 MAPK14 (0.54) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6179169 0.89 MAPK14 (0.63) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6176832 0.89 MAPK14 (0.63) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL4336955 0.88 MAPK14 (0.52) MAPK14KDM4ECSNK1DCSNK1EPTGDR2
SCHEMBL7138225 0.87 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL4343331 0.86 MAPK14 (0.71) MAPK14KDM4ECSNK1DCSNK1EMAPT
SCHEMBL4337064 0.86 MAPK14 (0.57) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6173798 0.86 MAPK14 (0.42) MAPK14KDM4ECSNK1DCSNK1EMAPT
SCHEMBL6177420 0.86 MAPK14 (0.57) MAPK14KDM4ECSNK1DCSNK1EGRM5
SCHEMBL6177029 0.85 MAPK14 (0.59) 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