SCHEMBL9987568

SCHEMBL9987568

Cc1cnc(NCC(C)NC(=O)O)nc1-c1sc(C2CC2)nc1-c1cc(F)cc(NS(C)(=O)=O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.53

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
SCHEMBL9986809 0.88 BRAF (0.64) BRAF
SCHEMBL9986795 0.81 BRAF (0.74) BRAF
SCHEMBL9986793 0.81 BRAF (0.74) BRAF
SCHEMBL14858927 0.78 BRAF (0.54) BRAF
SCHEMBL14860129 0.77 BRAF (0.61) BRAF
SCHEMBL12072975 0.77 BRAF (0.61) BRAF
SCHEMBL9987267 0.77 BRAF (0.65) BRAF
SCHEMBL14858925 0.76 BRAF (0.56) BRAF
SCHEMBL16105888 0.76 BRAF (0.87) BRAF
SCHEMBL1494551 0.76 BRAF (0.87) BRAF

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-2585454-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2013-05-01 EP disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 WO disclosed