SCHEMBL3934779

SCHEMBL3934779

COc1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.77
LCK P06239 11/20 0.75
MAPK14 Q16539 4/20 0.75
KIT P10721 3/20 0.75
SRC P12931 2/20 0.75
ABL1 P00519 1/20 0.75
BTK Q06187 10/20 0.73
CSF1R P07333 3/20 0.72
KDR P35968 3/20 0.69
CYP2C9 P11712 2/20 0.67
RAF1 P04049 1/20 0.62
BLK P51451 1/20 0.61
DDR1 Q08345 1/20 0.60
DDR2 Q16832 1/20 0.60

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
SCHEMBL27699869 0.88 LCK (0.81) BRAFLCKMAPK14KITSRC
SCHEMBL3944066 0.88 BRAF (0.63) BRAFLCKMAPK14KITSRC
SCHEMBL3943066 0.87 LCK (0.79) BRAFLCKMAPK14KITSRC
SCHEMBL3933392 0.87 LCK (0.79) BRAFLCKMAPK14KITSRC
SCHEMBL3934754 0.87 LCK (0.79) BRAFLCKMAPK14KITSRC
SCHEMBL3939889 0.87 BRAF (1.00) BRAFLCKMAPK14KITSRC
SCHEMBL3938207 0.87 BRAF (0.72) BRAFLCKMAPK14KITSRC
SCHEMBL3935008 0.86 LCK (0.78) BRAFLCKMAPK14KITSRC
SCHEMBL3935176 0.86 LCK (0.78) BRAFLCKMAPK14KITSRC
SCHEMBL27720421 0.86 LCK (0.78) BRAFLCKMAPK14KITSRC

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-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed