SCHEMBL31311530

SCHEMBL31311530

CC(C)(C)OC(=O)Nc1cc(N2CCC3(CC2)COC3)cnc1C(=O)NCCOCCNCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.62
▸ TNKS O95271 3/20 0.53
▸ TNKS2 Q9H2K2 3/20 0.53

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
SCHEMBL31311845 0.96 PARP1 (0.62) PARP1TNKSTNKS2
SCHEMBL31311891 0.94 PARP1 (0.64) PARP1TNKSTNKS2
SCHEMBL31311404 0.93 PARP1 (0.54) PARP1TNKSTNKS2
SCHEMBL31312178 0.91 PARP1 (0.61) PARP1TNKSTNKS2
SCHEMBL31311917 0.90 PARP1 (0.54) PARP1TNKSTNKS2
SCHEMBL31312036 0.89 PARP1 (0.67) PARP1TNKSTNKS2
SCHEMBL31311874 0.87 PARP1 (0.56) PARP1TNKSTNKS2
SCHEMBL31311514 0.87 PARP1 (0.70) PARP1TNKSTNKS2
SCHEMBL31312234 0.87 PARP1 (0.64) PARP1TNKSTNKS2
SCHEMBL31311991 0.87 PARP1 (0.65) PARP1TNKSTNKS2

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-2024264072-A2 PARP INHIBITORS Stablix, Inc. (US) 2024-12-26 — — WO disclosed
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