SCHEMBL3936063

SCHEMBL3936063

COc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 1.00
CYP2C9 P11712 5/20 0.80

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
SCHEMBL3934396 0.89 BRAF (1.00) BRAFCYP2C9
SCHEMBL3944123 0.88 BRAF (0.79) BRAFCYP2C9
SCHEMBL3941588 0.87 BRAF (0.82) BRAFCYP2C9
SCHEMBL3944141 0.87 BRAF (0.82) BRAFCYP2C9
SCHEMBL3932579 0.87 BRAF (1.00) BRAFCYP2C9
SCHEMBL3932791 0.87 BRAF (1.00) BRAFCYP2C9
SCHEMBL3939889 0.86 BRAF (1.00) BRAFCYP2C9
SCHEMBL3929867 0.86 BRAF (1.00) BRAFCYP2C9
SCHEMBL3934670 0.86 BRAF (0.88) BRAFCYP2C9
SCHEMBL3929892 0.85 BRAF (1.00) BRAFCYP2C9

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-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed