SCHEMBL29675154

SCHEMBL29675154

Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(C)(C)C#N)c2)cc1C#Cc1cnc(N)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.53
CSF1R P07333 4/20 0.47
LCK P06239 2/20 0.47
LYN P07948 2/20 0.47
FYN P06241 1/20 0.47
YES1 P07947 1/20 0.47
HCK P08631 1/20 0.47
FGR P09769 1/20 0.47
SRC P12931 1/20 0.47
CSK P41240 1/20 0.47
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47
SRMS Q9H3Y6 1/20 0.47
KIT P10721 9/20 0.47
BRAF P15056 3/20 0.45
BCR P11274 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
MAP3K7 O43318 1/20 0.44
MAP4K2 Q12851 1/20 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
SCHEMBL24626771 1.00 ABL1 (0.53) ABL1CSF1RLCKLYNFYN
SCHEMBL29675250 0.86 ABL1 (0.54) ABL1CSF1RLCKLYNFYN
SCHEMBL24626401 0.86 ABL1 (0.54) ABL1CSF1RLCKLYNFYN
SCHEMBL24626342 0.86 ABL1 (0.53) ABL1CSF1RLCKLYNFYN
SCHEMBL24626755 0.83 ABL1 (0.50) ABL1CSF1RLCKLYNFYN
SCHEMBL2966570 0.77 ABL1 (0.72) ABL1CSF1RLCKLYNKIT
SCHEMBL29675215 0.77 ABL1 (0.65) ABL1CSF1RLCKLYNFYN
SCHEMBL24626405 0.77 ABL1 (0.65) ABL1CSF1RLCKLYNFYN
SCHEMBL24626065 0.76 ABL1 (0.76) ABL1CSF1RLCKLYNFYN
SCHEMBL26260387 0.75 ABL1 (0.57) ABL1KITBRAF

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 claimed