SCHEMBL29675247

SCHEMBL29675247

Cc1ccc(C(=O)Nc2cc(N3C[C@H]4C[C@@H]3CN4C)cc(C(C)(C)C#N)c2)cc1C#Cc1cnc(N)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.48
BCR P11274 11/20 0.48
LCK P06239 4/20 0.46
TEK Q02763 3/20 0.46
KDR P35968 2/20 0.46
CSF1R P07333 3/20 0.45
FYN P06241 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
FGR P09769 1/20 0.45
SRC P12931 1/20 0.45
CSK P41240 1/20 0.45
BLK P51451 1/20 0.45
BMX P51813 1/20 0.45
SRMS Q9H3Y6 1/20 0.45
KIT P10721 3/20 0.44

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
SCHEMBL29675209 1.00 ABL1 (0.48) ABL1BCRLCKTEKKDR
SCHEMBL29675210 0.93 ABL1 (0.46) ABL1BCRLCKTEKKDR
SCHEMBL29675139 0.93 ABL1 (0.46) ABL1BCRLCKTEKKDR
SCHEMBL24626401 0.86 ABL1 (0.54) ABL1BCRLCKTEKKDR
SCHEMBL29675250 0.86 ABL1 (0.54) ABL1BCRLCKTEKKDR
SCHEMBL29675048 0.81 KIT (0.47) ABL1BCRLCKTEKKDR
SCHEMBL24626351 0.80 ABL1 (0.45) ABL1BCRLCKTEKKDR
SCHEMBL24626060 0.78 ABL1 (0.45) ABL1BCRLCKTEKKDR
SCHEMBL24626342 0.77 ABL1 (0.53) ABL1BCRLCKTEKKDR
SCHEMBL24626405 0.77 ABL1 (0.65) ABL1BCRLCKTEKKDR

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