SCHEMBL22548932

SCHEMBL22548932

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

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.84
▸ KIT P10721 5/20 0.79
▸ FGFR1 P11362 1/20 0.73
▸ CYP2C9 P11712 1/20 0.73
▸ PDGFRA P16234 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ FLT3 P36888 1/20 0.73
▸ LRRK2 Q5S007 1/20 0.73
▸ HDAC6 Q9UBN7 1/20 0.73

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
SCHEMBL22548931 0.91 ABL1 (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL28516136 0.90 ABL1 (0.87) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL24626764 0.90 KIT (0.79) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL31620766 0.88 KIT (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL28516830 0.88 ABL1 (0.82) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL28515378 0.88 ABL1 (0.82) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL31620735 0.87 KIT (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL4112245 0.87 ABL1 (1.00) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL28512787 0.87 ABL1 (0.80) ABL1KITFGFR1CYP2C9PDGFRA
SCHEMBL22549164 0.86 KIT (0.84) ABL1KITFGFR1CYP2C9PDGFRA

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-2020206583-A1 KINASE INHIBITORS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-10-15 — — WO disclosed
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