SCHEMBL21751780

SCHEMBL21751780

CCOC(=O)COCc1nc2[nH]ccc2cc1C(Br)OCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.33
▸ PDE3A Q14432 3/20 0.33
▸ P2RY12 Q9H244 3/20 0.33
▸ CYP2D6 P10635 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ KCNH2 Q12809 1/20 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
SCHEMBL21751683 0.88 HSP90AA1 (0.30) —
SCHEMBL21751713 0.79 CDK8 (0.33) —
SCHEMBL23908158 0.76 RIPK1 (0.30) —
SCHEMBL21751681 0.76 CDK8 (0.36) —
SCHEMBL21751559 0.70 MTNR1A (0.36) —
SCHEMBL21751742 0.69 — —
SCHEMBL21751629 0.69 — —
SCHEMBL23908110 0.67 CYP2C9 (0.33) —
SCHEMBL21751728 0.65 — —
SCHEMBL21751635 0.64 MAPT (0.38) —

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
EP-4110298-A1 HOT MELT EXTRUDED SOLID DISPERSIONS CONTAINING A BCL2 INHIBITOR Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2023-01-04 — — EP disclosed
WO-2020041406-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2020-02-27 — — WO disclosed
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