SCHEMBL22685173

SCHEMBL22685173

Nc1nc(C(F)(F)F)ccc1-c1ccc(C2(NC(=O)c3ccc(Cl)cc3)CCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ PDE2A O00408 11/20 0.41
▸ WDR91 A4D1P6 2/20 0.40
▸ CXCR3 P49682 2/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL22685351 0.89 WDR91 (0.54) IDO1PDE2AWDR91CXCR3MAP4K4
SCHEMBL22684799 0.87 IDO1 (0.39) IDO1PDE2A
SCHEMBL22685330 0.83 CXCR3 (0.42) PDE2ACXCR3MAP4K4
SCHEMBL22685324 0.82 WDR91 (0.40) IDO1PDE2AWDR91CXCR3PTGER4
SCHEMBL22686791 0.81 WDR91 (0.44) IDO1WDR91CXCR3HSD11B1MAP4K4
SCHEMBL22686805 0.80 PTGER4 (0.42) IDO1PDE2AWDR91CXCR3PTGER4
SCHEMBL22685191 0.80 WDR91 (0.43) IDO1PDE2AWDR91
SCHEMBL22685193 0.80 PDE2A (0.38) IDO1PDE2APTGER4PTGDR
SCHEMBL22685248 0.79 PTPN1 (0.39) PDE2A
SCHEMBL22685076 0.78 PTGER4 (0.46) PDE2AWDR91CXCR3PTGER4PTGDR

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
Send feedback