SCHEMBL22926050

SCHEMBL22926050

COc1ccc(COc2cc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)nnc2/C(N)=N/O)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TRPV1 Q8NER1 6/20 0.39
▸ FLT1 P17948 4/20 0.38
▸ FLT4 P35916 4/20 0.38
▸ KDR P35968 4/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ IMPDH2 P12268 1/20 0.37
▸ KIT P10721 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ VCP P55072 1/20 0.35

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
SCHEMBL28733678 1.00 NPSR1 (0.39) NPSR1TRPV1FLT1FLT4KDR
SCHEMBL29620970 1.00 NPSR1 (0.39) NPSR1TRPV1FLT1FLT4KDR
SCHEMBL29696304 0.89 IMPDH2 (0.43) NPSR1TRPV1FLT1FLT4KDR
SCHEMBL22926080 0.89 IMPDH2 (0.43) NPSR1TRPV1FLT1FLT4KDR
SCHEMBL28733676 0.87 TRPV1 (0.41) TRPV1FLT1FLT4KDRGSK3B
SCHEMBL22926054 0.82 GSK3B (0.41) TRPV1FLT1FLT4KDRGSK3B
SCHEMBL29621081 0.82 GSK3B (0.41) TRPV1FLT1FLT4KDRGSK3B
SCHEMBL22925705 0.82 FLT1 (0.46) TRPV1FLT1FLT4KDRGSK3B
SCHEMBL31755987 0.80 TRPV1 (0.39) TRPV1FLT1FLT4KDRGSK3B
SCHEMBL22925756 0.80 NPSR1 (0.43) NPSR1FLT1FLT4KDRGSK3B

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-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
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