SCHEMBL30774430

SCHEMBL30774430

COC(=O)c1ccc(C(=O)N2CCc3c(-c4ccc(C#N)cc4)cncc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 5/20 0.44
▸ CD274 Q9NZQ7 5/20 0.44
▸ USP30 Q70CQ3 2/20 0.43
▸ UCHL1 P09936 1/20 0.43
▸ CYP11B2 P19099 12/20 0.43
▸ CYP11B1 P15538 9/20 0.43
▸ AR P10275 1/20 0.42

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
SCHEMBL31635535 1.00 PDCD1 (0.44) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774625 0.92 USP30 (0.49) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774399 0.90 CYP11B2 (0.51) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774532 0.89 USP30 (0.46) USP30UCHL1CYP11B2CYP11B1
SCHEMBL33532547 0.88 SLC22A12 (0.50) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774426 0.87 CYP11B2 (0.48) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774475 0.87 USP30 (0.46) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774411 0.85 KDM1A (0.47) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774401 0.84 CYP11B2 (0.44) PDCD1CD274USP30UCHL1CYP11B2
SCHEMBL30774363 0.83 CYP11B2 (0.55) PDCD1CD274USP30UCHL1CYP11B2

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-2024061371-A1 ANNELATED PYRIDINE STEROID SYNTHETASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州威诺森医药科技有限公司 2024-03-28 — — WO disclosed
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