SCHEMBL22685193

SCHEMBL22685193

Nc1nc(C(F)(F)F)ccc1-c1ccc(C2(NC(=O)c3cc(Cl)c[nH]3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 18/20 0.38
▸ PTGER4 P35408 1/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL22685195 0.89 PDE2A (0.38) PDE2AIDO1
SCHEMBL22685194 0.87 PDE2A (0.38) PDE2APTGER4PTGDR
SCHEMBL22685179 0.84 IDO1 (0.37) PDE2APTGER4PTGDRIDO1
SCHEMBL22685173 0.80 IDO1 (0.42) PDE2APTGER4PTGDRIDO1
SCHEMBL22684799 0.79 IDO1 (0.39) PDE2AIDO1
SCHEMBL22685330 0.76 CXCR3 (0.42) PDE2A
SCHEMBL22685351 0.76 WDR91 (0.54) PDE2AIDO1
SCHEMBL22685248 0.73 PTPN1 (0.39) PDE2A
SCHEMBL22685191 0.70 WDR91 (0.43) PDE2AIDO1
SCHEMBL22686782 0.67 CLK1 (0.33) —

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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