SCHEMBL7142069

SCHEMBL7142069

CN(C)c1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.56
CACNA1H O95180 6/20 0.52
CACNA1G O43497 5/20 0.50
CACNA1I Q9P0X4 5/20 0.50
PRKACA P17612 1/20 0.44
ROCK1 Q13464 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CSNK1D P48730 2/20 0.41
CSNK1E P49674 1/20 0.41
ALOX5 P09917 1/20 0.41
WNT3A P56704 1/20 0.41

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 0.93 MAPK14 (0.63) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6176832 0.91 MAPK14 (0.63) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6177029 0.89 MAPK14 (0.59) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL7137615 0.88 MAPK14 (0.58) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6178768 0.88 MAPK14 (0.58) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL4343331 0.88 MAPK14 (0.71) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6180262 0.86 MAPK14 (0.56) MAPK14PRKACAROCK1ALDH1A1WNT3A
SCHEMBL6181393 0.86 MAPK14 (0.56) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL4337064 0.86 MAPK14 (0.57) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL6179223 0.85 MAPK14 (0.55) MAPK14CACNA1HCACNA1GCACNA1IPRKACA

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
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