SCHEMBL22685179

SCHEMBL22685179

Nc1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3cc(Cl)c[nH]3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ PDE2A O00408 8/20 0.35
▸ PTGER4 P35408 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ AKT1 P31749 4/20 0.34
▸ P2RX7 Q99572 1/20 0.33

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
SCHEMBL22685193 0.84 PDE2A (0.38) IDO1PDE2APTGER4PTGDR
SCHEMBL22685175 0.81 IDO1 (0.37) IDO1CYP2C9PDE2APTGER4PTGDR
SCHEMBL22685250 0.77 PTPN1 (0.40) IDO1CYP2C9PDE2A
SCHEMBL22685245 0.77 MAP4K4 (0.41) IDO1CYP2C9PDE2A
SCHEMBL22685078 0.77 WDR91 (0.53) IDO1CYP2C9PDE2A
SCHEMBL22685247 0.77 ROCK2 (0.41) IDO1CYP2C9PDE2A
SCHEMBL22685185 0.76 BTK (0.39) IDO1CYP2C9PDE2APTGER4PTGDR
SCHEMBL22685177 0.75 IDO1 (0.42) IDO1
SCHEMBL22685262 0.73 WDR91 (0.40) PDE2APTGER4PTGDRAKT1
SCHEMBL22438885 0.73 IDO1 (0.52) IDO1CYP2C9PDE2APTGER4PTGDR

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
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