SCHEMBL6176832

SCHEMBL6176832

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.63
PRKACA P17612 1/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NAMPT P43490 1/20 0.46
CSNK1D P48730 2/20 0.45
CSNK1E P49674 1/20 0.45
GRM5 P41594 1/20 0.43
MAPT P10636 1/20 0.43
WNT3A P56704 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL6179169 0.98 MAPK14 (0.63) MAPK14PRKACAROCK1KDM4ENAMPT
SCHEMBL4343331 0.95 MAPK14 (0.71) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6177029 0.94 MAPK14 (0.59) MAPK14PRKACAROCK1KDM4ENAMPT
SCHEMBL7137615 0.93 MAPK14 (0.58) MAPK14PRKACAROCK1KDM4ENAMPT
SCHEMBL6178768 0.93 MAPK14 (0.58) MAPK14PRKACAROCK1KDM4ENAMPT
SCHEMBL4337064 0.93 MAPK14 (0.57) MAPK14PRKACAROCK1KDM4ENAMPT
SCHEMBL6180262 0.91 MAPK14 (0.56) MAPK14PRKACAROCK1MAPTWNT3A
SCHEMBL6181393 0.91 MAPK14 (0.56) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL7142069 0.91 MAPK14 (0.56) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6175821 0.91 MAPK14 (0.56) MAPK14PRKACAROCK1KDM4ENAMPT

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