SCHEMBL27720381

SCHEMBL27720381

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1ccc(NC2CC2)nc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.83
LCK P06239 11/20 0.73
MAPK14 Q16539 5/20 0.73
KDR P35968 3/20 0.70
KIT P10721 3/20 0.68
BRAF P15056 4/20 0.67
CSF1R P07333 2/20 0.67
ABL1 P00519 1/20 0.67
SRC P12931 1/20 0.67
CYP2C9 P11712 2/20 0.65
BLK P51451 1/20 0.64

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
SCHEMBL28768581 0.96 BTK (0.77) BTKLCKMAPK14KDRKIT
SCHEMBL27720384 0.89 CSF1R (0.68) BTKLCKMAPK14KDRKIT
SCHEMBL27720455 0.89 BRAF (0.76) BTKLCKMAPK14KDRKIT
SCHEMBL27720383 0.85 CSF1R (0.66) BTKLCKMAPK14KDRKIT
SCHEMBL3929980 0.85 BTK (0.79) BTKLCKMAPK14KDRKIT
SCHEMBL3939130 0.84 BTK (0.70) BTKLCKMAPK14KDRKIT
SCHEMBL2943967 0.84 LCK (1.00) BTKLCKMAPK14KDRKIT
SCHEMBL2944882 0.82 LCK (1.00) BTKLCKMAPK14KDRKIT
SCHEMBL2950585 0.81 KDR (1.00) BTKLCKMAPK14KDRKIT
SCHEMBL1276318 0.81 BRAF (1.00) BTKLCKMAPK14KDRKIT

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
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed