SCHEMBL4792182

SCHEMBL4792182

Cc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2ccnc(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL2 P60568 6/20 0.44
MAPK14 Q16539 2/20 0.43
LCLAT1 Q6UWP7 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
RAF1 P04049 6/20 0.42
BRAF P15056 6/20 0.42
PPARG P37231 1/20 0.42
CREBBP Q92793 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
SCHEMBL4767433 0.86 IL2 (0.53) IL2MAPK14LCLAT1RAF1BRAF
SCHEMBL4769520 0.85 STIM1 (0.52) IL2MAPK14TRPV1RAF1BRAF
SCHEMBL17092818 0.84 IL2 (0.51) IL2RAF1BRAFPPARGCREBBP
SCHEMBL4768106 0.84 MAPK14 (0.45) IL2MAPK14TRPV1RAF1BRAF
SCHEMBL4764238 0.81 IL2 (0.66) IL2MAPK14RAF1BRAFCREBBP
SCHEMBL4761831 0.80 IL2 (0.55) IL2MAPK14RAF1BRAFCREBBP
SCHEMBL4762627 0.74 STIM1 (0.53) IL2MAPK14
SCHEMBL2843847 0.73 ALDH1A1 (0.52) IL2MAPK14
SCHEMBL4724859 0.73 IL2 (0.46) IL2MAPK14RAF1BRAF
SCHEMBL2814805 0.72 IL2 (0.53) IL2RAF1BRAF

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-1846372-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-12-17 EP claimed
EP-1846372-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP claimed
WO-2006083477-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-10 WO claimed