SCHEMBL3934068

SCHEMBL3934068

Cc1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1C(=O)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.65
CSF1R P07333 3/20 0.65
KIT P10721 2/20 0.58
MAPK14 Q16539 2/20 0.58
KDR P35968 1/20 0.58
NAMPT P43490 1/20 0.54
POLB P06746 2/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
SRC P12931 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3934814 0.87 BRAF (0.62) BRAFCSF1RKITMAPK14KDR
SCHEMBL3932944 0.81 BRAF (0.82) BRAFCSF1RKITMAPK14KDR
SCHEMBL3933131 0.79 BRAF (0.71) BRAFCSF1RKITMAPK14KDR
SCHEMBL3940458 0.79 BRAF (0.63) BRAFCSF1RKITMAPK14KDR
SCHEMBL1276318 0.79 BRAF (1.00) BRAFCSF1RKITMAPK14KDR
SCHEMBL3937474 0.78 BRAF (0.59) BRAFCSF1RKITMAPK14KDR
SCHEMBL3937075 0.78 BRAF (0.85) BRAFCSF1RKITMAPK14KDR
SCHEMBL3943800 0.77 BRAF (0.80) BRAFCSF1RNAMPT
SCHEMBL1276797 0.77 BRAF (0.78) BRAFCSF1RKITMAPK14KDR
SCHEMBL4014402 0.77 BRAF (0.74) BRAFCSF1RKITMAPK14KDR

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