SCHEMBL29675104

SCHEMBL29675104

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(NC(=O)[C@@H]2C[C@H]2F)c(C)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.75
▸ ABL1 P00519 14/20 0.72
▸ FGFR1 P11362 3/20 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 2/20 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
SCHEMBL29675008 1.00 KIT (0.75) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29675303 1.00 KIT (0.75) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29674957 1.00 KIT (0.75) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626024 0.92 KIT (0.77) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29675157 0.92 KIT (0.77) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626016 0.90 ABL1 (0.82) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29675031 0.90 ABL1 (0.82) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626764 0.88 KIT (0.79) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626535 0.87 KIT (0.73) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29675310 0.87 KIT (0.73) KITABL1FGFR1CYP2C9PDGFRA

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
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