SCHEMBL16879549

SCHEMBL16879549

N#CCC#CCc1cnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.44
▸ GLS O94925 10/20 0.44
▸ P2RY14 Q15391 2/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ NTRK1 P04629 3/20 0.42
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ RIPK1 Q13546 1/20 0.40
▸ NLRP3 Q96P20 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
SCHEMBL16879516 0.89 GLS (0.51) BRAFGLSNLRP3
SCHEMBL16880045 0.84 BRAF (0.48) BRAFGLSP2RY14NTRK1NLRP3
SCHEMBL16887479 0.84 BRAF (0.43) BRAFGLSP2RY14CSNK1DNTRK1
SCHEMBL16879493 0.83 GLS (0.50) BRAFGLS
SCHEMBL16879071 0.82 GLS (0.43) BRAFGLSP2RY14CSNK1DRIPK1
SCHEMBL16879484 0.80 GLS (0.50) BRAFGLSP2RY14CSNK1DNTRK1
SCHEMBL16879074 0.80 GLS (0.47) GLSP2RY14RIPK1
SCHEMBL16879453 0.79 GLS (0.48) GLSP2RY14
SCHEMBL16887481 0.77 GLS (0.52) BRAFGLS
SCHEMBL16887474 0.75 BRAF (0.48) BRAFGLSP2RY14NTRK1NLRP3

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
EP-3092235-A2 NOVEL INHIBITORS OF GLUTAMINASE Rhizen Pharmaceuticals S.A. (CH) 2016-11-16 — — EP disclosed
WO-2015101958-A2 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS SA (CH) 2015-07-09 — — WO disclosed
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