SCHEMBL31620840

SCHEMBL31620840

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c(C#Cc2ccc(N)nc2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.76
▸ ABL1 P00519 14/20 0.65
▸ ABL2 P42684 1/20 0.65
▸ RET P07949 1/20 0.61
▸ FGFR1 P11362 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ PDGFRA P16234 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ FLT3 P36888 1/20 0.58
▸ LRRK2 Q5S007 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL31620766 0.87 KIT (1.00) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL31620756 0.85 ABL1 (0.78) KITABL1RETFGFR1CYP2C9
SCHEMBL21730542 0.84 KIT (0.85) KITABL1ABL2RETFGFR1
SCHEMBL29562844 0.82 SRC (0.62) KITABL1FGFR1PDGFRA
SCHEMBL28021485 0.82 KIT (0.72) KITABL1FGFR1
SCHEMBL31620876 0.82 KIT (0.58) KITABL1ABL2RET
SCHEMBL29758813 0.81 ABL1 (0.78) KITABL1ABL2RETFGFR1
SCHEMBL29675313 0.80 KIT (0.83) KITABL1RETFGFR1CYP2C9
SCHEMBL24626341 0.79 KIT (0.79) KITABL1RETFGFR1CYP2C9
SCHEMBL24626254 0.79 KIT (0.72) KITABL1RETFGFR1CYP2C9

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
CN-120136781-A ROR 1-targeted inhibitor and synthesis method and application thereof 北京大学 2025-06-13 — — CN disclosed
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