SCHEMBL6178768

SCHEMBL6178768

Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.58
ENPP2 Q13822 1/20 0.48
PRKACA P17612 1/20 0.45
ROCK1 Q13464 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CSNK1D P48730 2/20 0.42
CSNK1E P49674 1/20 0.42
WNT3A P56704 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 1/20 0.40
NAMPT P43490 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
SCHEMBL6179169 0.95 MAPK14 (0.63) MAPK14PRKACAROCK1MAPTKDM4E
SCHEMBL6176832 0.93 MAPK14 (0.63) MAPK14PRKACAROCK1MAPTKDM4E
SCHEMBL6177029 0.91 MAPK14 (0.59) MAPK14PRKACAROCK1MAPTKDM4E
SCHEMBL7137615 0.90 MAPK14 (0.58) MAPK14PRKACAROCK1MAPTKDM4E
SCHEMBL4343331 0.90 MAPK14 (0.71) MAPK14PRKACAROCK1MAPTKDM4E
SCHEMBL6174869 0.89 MAPK14 (0.57) MAPK14PRKACAROCK1MAPTNPSR1
SCHEMBL6180262 0.88 MAPK14 (0.56) MAPK14PRKACAROCK1MAPTWNT3A
SCHEMBL6181393 0.88 MAPK14 (0.56) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL7142069 0.88 MAPK14 (0.56) MAPK14PRKACAROCK1KDM4ECSNK1D
SCHEMBL4337064 0.88 MAPK14 (0.57) MAPK14PRKACAROCK1MAPTKDM4E

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