SCHEMBL24626768

SCHEMBL24626768

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(NC2CC2)c(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.81
▸ KIT P10721 4/20 0.73
▸ FGFR1 P11362 2/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ PDGFRA P16234 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ FLT3 P36888 1/20 0.71
▸ LRRK2 Q5S007 1/20 0.71
▸ HDAC6 Q9UBN7 1/20 0.71
▸ KDR P35968 1/20 0.68

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
SCHEMBL29675010 1.00 ABL1 (0.81) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL24626358 0.91 KIT (0.72) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL29675144 0.91 KIT (0.72) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL29675190 0.91 ABL1 (0.79) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL24626423 0.91 ABL1 (0.79) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL24626362 0.90 ABL1 (0.76) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL29674997 0.90 ABL1 (0.76) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL29515093 0.90 ABL1 (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL3431360 0.90 ABL1 (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL29674998 0.89 KIT (0.75) ABL1KITFGFR1CYP2C9PDGFRA

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
Send feedback