SCHEMBL20009162

SCHEMBL20009162

C=N/N=C(\C=C/CC)c1cc(NC(=O)c2ccnc(C(C)(C)C#N)c2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.48
RAF1 P04049 18/20 0.48
CYP2C9 P11712 1/20 0.46

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
SCHEMBL3936862 0.80 BRAF (0.57) BRAFRAF1CYP2C9
SCHEMBL3944249 0.78 BRAF (0.56) BRAFRAF1CYP2C9
SCHEMBL26075590 0.76 RAF1 (0.55) BRAFRAF1
SCHEMBL26075758 0.75 RAF1 (0.58) BRAFRAF1
SCHEMBL29877984 0.75 RAF1 (0.58) BRAFRAF1
SCHEMBL3939108 0.74 BRAF (0.78) BRAFCYP2C9
SCHEMBL20008430 0.74 RAF1 (0.48) BRAFRAF1
SCHEMBL3933224 0.73 BRAF (0.62) BRAFRAF1CYP2C9
SCHEMBL29877572 0.72 MAPT (0.58) BRAFRAF1
SCHEMBL3934840 0.72 BRAF (0.78) BRAFRAF1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed