SCHEMBL6178427

SCHEMBL6178427

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.51
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK8 P45983 1/20 0.39
NTRK1 P04629 2/20 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
SCHEMBL6177910 0.92 MAPK14 (0.50) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL4331477 0.92 MAPK14 (0.51) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL6176783 0.91 MAPK14 (0.50) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL6175417 0.90 MAPK14 (0.49) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL4329813 0.90 MAPK14 (0.56) MAPK14KDM4ECSNK1DCSNK1E
SCHEMBL4330915 0.87 MAPK14 (0.48) MAPK14NAMPTKDM4E
SCHEMBL6178911 0.87 MAPK14 (0.48) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL6177522 0.87 MAPK14 (0.50) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL6178635 0.87 MAPK14 (0.48) MAPK14NAMPTKDM4ECSNK1DCSNK1E
SCHEMBL6176832 0.86 MAPK14 (0.63) MAPK14NAMPTKDM4ECSNK1DCSNK1E

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