SCHEMBL24626014

SCHEMBL24626014

Cc1ccc(C(=O)Nc2cc(N3C=CNN3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.62
BCR P11274 11/20 0.62
LCK P06239 4/20 0.57
TEK Q02763 4/20 0.57
KDR P35968 3/20 0.57
SRC P12931 2/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
YES1 P07947 1/20 0.53
LYN P07948 1/20 0.53
HCK P08631 1/20 0.53
FGR P09769 1/20 0.53
CSK P41240 1/20 0.53
BLK P51451 1/20 0.53
BMX P51813 1/20 0.53
SRMS Q9H3Y6 1/20 0.53
KIT P10721 2/20 0.49
DDR1 Q08345 1/20 0.48
DDR2 Q16832 1/20 0.48

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
SCHEMBL24626053 0.86 ABL1 (0.63) ABL1BCRLCKTEKKDR
SCHEMBL29675171 0.86 ABL1 (0.63) ABL1BCRLCKTEKKDR
SCHEMBL29675215 0.86 ABL1 (0.65) ABL1BCRLCKTEKKDR
SCHEMBL29675124 0.86 ABL1 (0.84) ABL1BCRLCKTEKKDR
SCHEMBL24626536 0.86 ABL1 (0.84) ABL1BCRLCKTEKKDR
SCHEMBL24626405 0.86 ABL1 (0.65) ABL1BCRLCKTEKKDR
SCHEMBL29675185 0.84 ABL1 (0.61) ABL1BCRLCKTEKKDR
SCHEMBL29675050 0.84 ABL1 (0.68) ABL1BCRLCKTEKKDR
SCHEMBL29675256 0.83 ABL1 (0.62) ABL1BCRLCKTEKKDR
SCHEMBL24626004 0.79 DDR1 (0.72) ABL1BCRSRCKITDDR1

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
WO-2022149855-A1 HETEROARYL-ETHYNYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-07-14 WO disclosed