SCHEMBL3934034

SCHEMBL3934034

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cncc(F)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.83
CYP2C9 P11712 5/20 0.83
LCK P06239 2/20 0.61
ABL1 P00519 1/20 0.61
KIT P10721 1/20 0.61
SRC P12931 1/20 0.61
MAPK14 Q16539 1/20 0.61
CSF1R P07333 1/20 0.59
BTK Q06187 1/20 0.56

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
SCHEMBL3931650 0.91 BRAF (1.00) BRAFCYP2C9LCKABL1KIT
SCHEMBL3934902 0.90 BRAF (1.00) BRAFCYP2C9LCKABL1KIT
SCHEMBL3934816 0.89 BRAF (0.83) BRAFCYP2C9LCKABL1KIT
SCHEMBL3939123 0.89 BRAF (0.83) BRAFCYP2C9LCKABL1KIT
SCHEMBL3936471 0.88 BRAF (1.00) BRAFCYP2C9LCKABL1KIT
SCHEMBL3933651 0.88 BRAF (0.81) BRAFCYP2C9LCKABL1KIT
SCHEMBL3933392 0.88 LCK (0.79) BRAFCYP2C9LCKABL1KIT
SCHEMBL4012382 0.87 BRAF (0.80) BRAFCYP2C9LCKABL1KIT
SCHEMBL3939889 0.87 BRAF (1.00) BRAFCYP2C9LCKABL1KIT
SCHEMBL3939806 0.87 BRAF (0.79) BRAFCYP2C9LCKMAPK14BTK

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