SCHEMBL29675330

SCHEMBL29675330

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(N)c(Cl)c4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.83
BCR P11274 12/20 0.83
SRC P12931 2/20 0.65
NR2E1 Q9Y466 1/20 0.57
LCK P06239 1/20 0.57
KDR P35968 1/20 0.57
TEK Q02763 1/20 0.57
LDLR P01130 1/20 0.56
KIT P10721 1/20 0.56
PCSK9 Q8NBP7 1/20 0.56
RAF1 P04049 1/20 0.55

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
SCHEMBL29675124 0.93 ABL1 (0.84) ABL1BCRSRCNR2E1LCK
SCHEMBL24626536 0.93 ABL1 (0.84) ABL1BCRSRCNR2E1LCK
SCHEMBL29515144 0.91 ABL1 (1.00) ABL1BCRSRCNR2E1LCK
SCHEMBL3428132 0.91 ABL1 (1.00) ABL1BCRSRCNR2E1LCK
SCHEMBL29675033 0.89 ABL1 (0.80) ABL1BCRSRCNR2E1LCK
SCHEMBL29675148 0.89 ABL1 (0.68) ABL1BCRSRCLCKKDR
SCHEMBL29515089 0.89 ABL1 (0.87) ABL1BCRSRCNR2E1LCK
SCHEMBL3429020 0.89 ABL1 (0.87) ABL1BCRSRCNR2E1LCK
SCHEMBL29675029 0.87 ABL1 (0.74) ABL1BCRSRCNR2E1LCK
SCHEMBL29675147 0.87 ABL1 (0.63) ABL1BCRSRCNR2E1

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