SCHEMBL22685078

SCHEMBL22685078

Nc1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)COC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 11/20 0.53
IDO1 P14902 3/20 0.43
CYP2C9 P11712 2/20 0.42
PDE2A O00408 2/20 0.40
F10 P00742 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
MAP4K4 O95819 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL22685074 0.92 IDO1 (0.51) WDR91IDO1CYP2C9PDE2AMAP4K4
SCHEMBL22685072 0.91 IDO1 (0.43) WDR91IDO1CYP2C9PDE2A
SCHEMBL22685075 0.88 IDO1 (0.43) WDR91IDO1CYP2C9PDE2AMAP4K4
SCHEMBL22685073 0.88 IDO1 (0.41) WDR91IDO1CYP2C9PDE2AMAP4K4
SCHEMBL22685351 0.83 WDR91 (0.54) WDR91IDO1PDE2AMAP4K4
SCHEMBL22685177 0.83 IDO1 (0.42) WDR91IDO1F10MALT1MAP4K4
SCHEMBL22684760 0.81 WDR91 (0.53) WDR91PDE2AMALT1
SCHEMBL22685262 0.80 WDR91 (0.40) WDR91PDE2AF10MALT1MAP4K4
SCHEMBL22439026 0.80 IDO1 (0.66) WDR91IDO1CYP2C9PDE2A
SCHEMBL22685247 0.80 ROCK2 (0.41) IDO1CYP2C9PDE2AF10MAP4K4

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed