SCHEMBL29675006

SCHEMBL29675006

COc1cc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)cnc1N

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.85
▸ FGFR1 P11362 3/20 0.76
▸ KDR P35968 2/20 0.76
▸ ABL1 P00519 12/20 0.75
▸ CYP2C9 P11712 1/20 0.74
▸ PDGFRA P16234 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ FLT3 P36888 1/20 0.74
▸ LRRK2 Q5S007 1/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.74

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
SCHEMBL29675060 0.94 KIT (0.84) KITFGFR1KDRABL1CYP2C9
SCHEMBL24626402 0.94 KIT (0.84) KITFGFR1KDRABL1CYP2C9
SCHEMBL24626308 0.92 KIT (1.00) KITFGFR1KDRABL1CYP2C9
SCHEMBL29674944 0.92 KIT (0.91) KITFGFR1KDRABL1CYP2C9
SCHEMBL29675088 0.92 KIT (1.00) KITFGFR1KDRABL1CYP2C9
SCHEMBL24626754 0.92 KIT (0.91) KITFGFR1KDRABL1CYP2C9
SCHEMBL24626385 0.91 KIT (0.89) KITFGFR1KDRABL1CYP2C9
SCHEMBL29675137 0.91 KIT (0.89) KITFGFR1KDRABL1CYP2C9
SCHEMBL24626068 0.90 KIT (0.88) KITFGFR1KDRABL1CYP2C9
SCHEMBL29675146 0.90 KIT (0.88) KITFGFR1KDRABL1CYP2C9

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
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