SCHEMBL21751681

SCHEMBL21751681

COC(=O)c1nc2[nH]ccc2cc1C(Br)OCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 4/20 0.36
▸ KDR P35968 3/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.31
▸ TTBK2 Q6IQ55 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ DCLK1 O15075 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ FES P07332 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FER P16591 1/20 0.31

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
SCHEMBL21751713 0.84 CDK8 (0.33) CDK8KDR
SCHEMBL23908158 0.82 RIPK1 (0.30) —
SCHEMBL21751683 0.79 HSP90AA1 (0.30) —
SCHEMBL25650901 0.77 CDK8 (0.44) CDK8KDRABL1TTBK1TTBK2
SCHEMBL21751559 0.77 MTNR1A (0.36) —
SCHEMBL21751780 0.76 PDE3B (0.33) —
SCHEMBL23908110 0.75 CYP2C9 (0.33) —
SCHEMBL21751629 0.75 — —
SCHEMBL21751742 0.75 — —
SCHEMBL21751612 0.74 ABCB1 (0.34) ROCK2

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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