SCHEMBL29270728

SCHEMBL29270728

CC(C)(C[C@H]1CSc2cc(F)c(-c3cccc4c3[nH]c3ccccc34)cc2N(Cc2ccc(C#N)cc2)C1=O)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 20/20 0.40

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
SCHEMBL29270705 0.93 PARP14 (0.39) PARP14
SCHEMBL29270729 0.82 PARP14 (0.38) PARP14
SCHEMBL29270722 0.79 CHRM2 (0.38) —
SCHEMBL29270744 0.76 TP53 (0.34) —
SCHEMBL29270773 0.76 EGLN2 (0.34) —
SCHEMBL29270781 0.76 TP53 (0.37) —
SCHEMBL29270692 0.75 AGTR1 (0.36) —
SCHEMBL29270690 0.74 ALDH1A1 (0.41) —
SCHEMBL29270771 0.73 XIAP (0.34) —
SCHEMBL29270810 0.73 TP53 (0.35) —

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
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN disclosed
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