SCHEMBL29675313

SCHEMBL29675313

Cc1c(C#Cc2cnc(N)c(Cl)c2)cccc1C(=O)Nc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.83
▸ ABL1 P00519 10/20 0.60
▸ RET P07949 4/20 0.60
▸ KIF5B P33176 1/20 0.59
▸ CCDC6 Q16204 1/20 0.59
▸ FLT3 P36888 2/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ PDGFRA P16234 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ LRRK2 Q5S007 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ SRC P12931 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
SCHEMBL29675025 0.93 KIT (0.71) KITABL1RETKIF5BCCDC6
SCHEMBL29675114 0.88 KIT (0.69) KITABL1RETFLT3FGFR1
SCHEMBL24626345 0.88 KIT (0.69) KITABL1RETFLT3FGFR1
SCHEMBL24626068 0.86 KIT (0.88) KITABL1FLT3FGFR1CYP2C9
SCHEMBL24626383 0.86 KIT (0.76) KITABL1RETKIF5BCCDC6
SCHEMBL29675146 0.86 KIT (0.88) KITABL1FLT3FGFR1CYP2C9
SCHEMBL24626419 0.86 KIT (0.70) KITABL1RETFLT3FGFR1
SCHEMBL29674994 0.86 KIT (0.70) KITABL1RETFLT3FGFR1
SCHEMBL29675075 0.85 KIT (0.74) KITABL1FLT3FGFR1CYP2C9
SCHEMBL24626591 0.85 KIT (0.83) 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 claimed
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