SCHEMBL22925873

SCHEMBL22925873

COc1ccc(COc2cnc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 3/20 0.45
▸ FLT1 P17948 3/20 0.41
▸ FLT4 P35916 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ GSK3B P49841 1/20 0.40
▸ TRPV1 Q8NER1 4/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ AR P10275 1/20 0.38
▸ SCN9A Q15858 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
SCHEMBL22925705 0.89 FLT1 (0.46) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL22926054 0.86 GSK3B (0.41) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL29621081 0.86 GSK3B (0.41) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL22926079 0.83 IMPDH2 (0.45) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL29620874 0.83 IMPDH2 (0.45) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL31755987 0.83 TRPV1 (0.39) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL29696276 0.83 TRPV1 (0.42) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL28733676 0.77 TRPV1 (0.41) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL22926050 0.77 NPSR1 (0.39) IMPDH2FLT1FLT4KDRGSK3B
SCHEMBL29620970 0.77 NPSR1 (0.39) IMPDH2FLT1FLT4KDRGSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
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