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SCHEMBL3944141

SCHEMBL3944141

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1ccc(Cl)nc1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.82
▸ CYP2C9 P11712 6/20 0.82
▸ KCNQ3 O43525 1/20 0.59
▸ KCNQ2 O43526 1/20 0.59
▸ KCNE1 P15382 1/20 0.59
▸ KCNQ1 P51787 1/20 0.59
▸ LCK P06239 1/20 0.58
▸ KDR P35968 1/20 0.58
▸ BTK Q06187 1/20 0.58
▸ MAPK14 Q16539 1/20 0.58

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 0.90 BRAF (1.00) BRAFCYP2C9LCKKDRBTK
SCHEMBL3937282 0.90 BRAF (0.85) BRAFCYP2C9LCKKDRBTK
SCHEMBL3941588 0.89 BRAF (0.82) BRAFCYP2C9LCKKDRBTK
SCHEMBL3932791 0.89 BRAF (1.00) BRAFCYP2C9LCKKDRBTK
SCHEMBL3932579 0.89 BRAF (1.00) BRAFCYP2C9LCKKDRBTK
SCHEMBL3929867 0.88 BRAF (1.00) BRAFCYP2C9LCKKDRBTK
SCHEMBL3934670 0.88 BRAF (0.88) BRAFCYP2C9LCKKDRBTK
SCHEMBL3942817 0.87 BRAF (1.00) BRAFCYP2C9LCKKDRBTK
SCHEMBL3929892 0.87 BRAF (1.00) BRAFCYP2C9LCKKDRBTK
SCHEMBL3936063 0.87 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