SCHEMBL24626018

SCHEMBL24626018

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(N)c(Cl)n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.77
▸ FLT3 P36888 2/20 0.75
▸ SRC P12931 2/20 0.75
▸ ABL1 P00519 11/20 0.74
▸ FGFR1 P11362 2/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ PDGFRA P16234 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ LRRK2 Q5S007 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69
▸ CSF1R P07333 1/20 0.68
▸ 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
SCHEMBL29675017 1.00 KIT (0.77) KITFLT3SRCABL1FGFR1
SCHEMBL19322509 0.93 KIT (0.79) KITFLT3SRCABL1FGFR1
SCHEMBL29675009 0.92 KIT (0.78) KITFLT3SRCABL1FGFR1
SCHEMBL24626792 0.92 KIT (0.78) KITFLT3SRCABL1FGFR1
SCHEMBL29675100 0.91 KIT (0.76) KITFLT3SRCABL1FGFR1
SCHEMBL24626786 0.91 KIT (0.76) KITFLT3SRCABL1FGFR1
SCHEMBL24626462 0.90 KIT (0.75) KITFLT3SRCABL1FGFR1
SCHEMBL29675020 0.90 KIT (0.75) KITFLT3SRCABL1FGFR1
SCHEMBL24626360 0.90 KIT (0.74) KITFLT3SRCABL1FGFR1
SCHEMBL24626017 0.88 KIT (0.82) KITFLT3SRCABL1FGFR1

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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