SCHEMBL31620735

SCHEMBL31620735

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(N)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 7/20 1.00
▸ ABL1 P00519 13/20 0.85
▸ FGFR1 P11362 1/20 0.79
▸ CYP2C9 P11712 1/20 0.79
▸ PDGFRA P16234 1/20 0.79
▸ CYP2C19 P33261 1/20 0.79
▸ FLT3 P36888 1/20 0.79
▸ LRRK2 Q5S007 1/20 0.79
▸ HDAC6 Q9UBN7 1/20 0.79
▸ RET P07949 1/20 0.76

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
SCHEMBL24626308 0.92 KIT (1.00) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29675088 0.92 KIT (1.00) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL31620766 0.92 KIT (1.00) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626754 0.92 KIT (0.91) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29674944 0.92 KIT (0.91) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL4112245 0.92 ABL1 (1.00) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL22549164 0.92 KIT (0.84) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626385 0.91 KIT (0.89) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL29675137 0.91 KIT (0.89) KITABL1FGFR1CYP2C9PDGFRA
SCHEMBL24626068 0.90 KIT (0.88) KITABL1FGFR1CYP2C9PDGFRA

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 2 patents. 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 claimed
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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