SCHEMBL30955402

SCHEMBL30955402

COCCSCc1cc(NC(=O)OC(C)(C)C)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.42
▸ SREBF2 Q12772 1/20 0.41
▸ CYP17A1 P05093 3/20 0.40
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ PRKCI P41743 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ ACSS2 Q9NR19 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ AR P10275 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL30955393 0.88 SREBF2 (0.42) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL30955460 0.86 SREBF2 (0.46) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL30530884 0.83 SREBF2 (0.45) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL30955394 0.80 SREBF2 (0.43) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL23168284 0.79 SREBF2 (0.47) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL30955414 0.78 ATR (0.49) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL30955392 0.77 ACHE (0.43) ATRSREBF2CYP17A1ACHEBACE1
SCHEMBL30955403 0.77 CYP17A1 (0.42) ATRSREBF2CYP17A1ACHEBACE1
SCHEMBL6591045 0.75 SREBF2 (0.49) ATRSREBF2CYP17A1NAMPTPRKCI
SCHEMBL30955481 0.75 SREBF2 (0.44) ATRSREBF2CYP17A1NAMPTPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968360-A Quinazoline compound and application thereof 赛诺哈勃药业(成都)有限公司 2025-05-09 — — CN disclosed
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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