SCHEMBL30955481

SCHEMBL30955481

CC(C)(C)OC(=O)Nc1ccnc(CS(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SREBF2 Q12772 1/20 0.44
▸ CYP17A1 P05093 3/20 0.43
▸ ATR Q13535 1/20 0.43
▸ MAP4K4 O95819 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ MAPKAPK2 P49137 6/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ KAT6A Q92794 1/20 0.38
▸ CA2 P00918 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
SCHEMBL30000904 0.85 ATR (0.44) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL23168284 0.84 SREBF2 (0.47) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL30955414 0.83 ATR (0.49) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL30955460 0.81 SREBF2 (0.46) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL28268052 0.81 SREBF2 (0.44) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL26640219 0.81 NAMPT (0.45) CYP17A1MAP4K4MAPKAPK2NAMPT
SCHEMBL30530884 0.81 SREBF2 (0.45) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL6591045 0.80 SREBF2 (0.49) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL28152360 0.80 SREBF2 (0.44) SREBF2CYP17A1ATRMAP4K4PRKCI
SCHEMBL9376173 0.78 MAP4K4 (0.49) SREBF2CYP17A1ATRMAP4K4PRKCI

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-2024131938-A1 QUINAZOLINE COMPOUND AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2024-06-27 — — WO disclosed
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