SCHEMBL29675080

SCHEMBL29675080

COc1cc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)ccc2C)cnc1NC(=O)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.71
▸ KDR P35968 2/20 0.71
▸ KIT P10721 5/20 0.71
▸ ABL1 P00519 13/20 0.70
▸ CYP2C9 P11712 1/20 0.69
▸ PDGFRA P16234 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ FLT3 P36888 1/20 0.69
▸ LRRK2 Q5S007 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69

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
SCHEMBL24626407 0.94 KIT (0.70) FGFR1KDRKITABL1CYP2C9
SCHEMBL29674978 0.94 KIT (0.70) FGFR1KDRKITABL1CYP2C9
SCHEMBL29675157 0.93 KIT (0.77) FGFR1KDRKITABL1CYP2C9
SCHEMBL24626024 0.93 KIT (0.77) FGFR1KDRKITABL1CYP2C9
SCHEMBL29675310 0.92 KIT (0.73) FGFR1KDRKITABL1CYP2C9
SCHEMBL24626535 0.92 KIT (0.73) FGFR1KDRKITABL1CYP2C9
SCHEMBL24626071 0.91 FGFR1 (0.59) FGFR1KDRKITABL1CYP2C9
SCHEMBL24626358 0.91 KIT (0.72) FGFR1KDRKITABL1CYP2C9
SCHEMBL29675144 0.91 KIT (0.72) FGFR1KDRKITABL1CYP2C9
SCHEMBL29675006 0.88 KIT (0.85) FGFR1KDRKITABL1CYP2C9

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
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