SCHEMBL24625979

SCHEMBL24625979

Cc1cc(F)c(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(N)c(C)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.62
ABL1 P00519 11/20 0.61
FLT3 P36888 3/20 0.59
SRC P12931 1/20 0.58
FGFR1 P11362 1/20 0.56
CYP2C9 P11712 1/20 0.56
PDGFRA P16234 1/20 0.56
CYP2C19 P33261 1/20 0.56
LRRK2 Q5S007 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL29675082 1.00 KIT (0.62) KITABL1FLT3SRCFGFR1
SCHEMBL29674927 0.96 KIT (0.60) KITABL1FLT3SRCFGFR1
SCHEMBL24626613 0.96 KIT (0.60) KITABL1FLT3SRCFGFR1
SCHEMBL24626019 0.94 KIT (0.66) KITABL1FLT3SRCFGFR1
SCHEMBL29675173 0.94 KIT (0.66) KITABL1FLT3SRCFGFR1
SCHEMBL24626766 0.93 KIT (0.62) KITABL1FLT3SRCFGFR1
SCHEMBL29674993 0.93 KIT (0.62) KITABL1FLT3SRCFGFR1
SCHEMBL24626341 0.89 KIT (0.79) KITABL1FLT3FGFR1CYP2C9
SCHEMBL19322509 0.89 KIT (0.79) KITABL1FLT3SRCFGFR1
SCHEMBL24626254 0.89 KIT (0.72) KITABL1FLT3FGFR1CYP2C9

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