SCHEMBL23588938

SCHEMBL23588938

C=Cc1c(C)ccc2[nH]nc(Cl)c12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.31
▸ GRM4 Q14833 2/20 0.30

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
SCHEMBL23206119 0.77 GAA (0.35) GAAGRM4
SCHEMBL23588699 0.75 NOS3 (0.33) GAAGRM4
SCHEMBL21196056 0.74 GSK3B (0.33) GAAGRM4
SCHEMBL22328050 0.71 MAPK1 (0.33) GAAGRM4
SCHEMBL22924137 0.71 GAA (0.32) GAAGRM4
SCHEMBL25477205 0.70 GAA (0.31) GAAGRM4
SCHEMBL19489399 0.69 GAA (0.39) GAAGRM4
SCHEMBL12866145 0.69 MAP2K4 (0.51) GAA
SCHEMBL12978557 0.66 ALDH1A1 (0.37) —
SCHEMBL14660332 0.66 CYP1A2 (0.35) GAAGRM4

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-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 — — WO disclosed
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