SCHEMBL31311917

SCHEMBL31311917

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.54
▸ PIK3CA P42336 1/20 0.49
▸ TNKS O95271 1/20 0.48
▸ TNKS2 Q9H2K2 1/20 0.48

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
SCHEMBL31312128 0.96 PARP1 (0.58) PARP1PIK3CA
SCHEMBL31311493 0.93 PARP1 (0.56) PARP1PIK3CA
SCHEMBL31311404 0.92 PARP1 (0.54) PARP1TNKSTNKS2
SCHEMBL31312158 0.90 PARP1 (0.55) PARP1TNKSTNKS2
SCHEMBL31311530 0.90 PARP1 (0.62) PARP1TNKSTNKS2
SCHEMBL31312569 0.87 PARP1 (0.61) PARP1PIK3CATNKSTNKS2
SCHEMBL31311681 0.86 PARP1 (0.56) PARP1TNKSTNKS2
SCHEMBL31311492 0.85 PARP1 (0.62) PARP1
SCHEMBL31311944 0.85 PARP1 (0.58) PARP1TNKSTNKS2
SCHEMBL31311699 0.85 PARP1 (0.59) PARP1PIK3CATNKSTNKS2

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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