SCHEMBL31312128

SCHEMBL31312128

Nc1cc(N2CC3(COC3)C2)cnc1C(=O)NCCOCCNCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.58
▸ PIK3CA P42336 1/20 0.49

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
SCHEMBL31311917 0.96 PARP1 (0.54) PARP1PIK3CA
SCHEMBL31311493 0.93 PARP1 (0.56) PARP1PIK3CA
SCHEMBL31312158 0.90 PARP1 (0.55) PARP1
SCHEMBL31311845 0.89 PARP1 (0.62) PARP1
SCHEMBL31311404 0.88 PARP1 (0.54) PARP1
SCHEMBL31312569 0.87 PARP1 (0.61) PARP1PIK3CA
SCHEMBL31311681 0.86 PARP1 (0.56) PARP1
SCHEMBL31311492 0.86 PARP1 (0.62) PARP1
SCHEMBL31311944 0.86 PARP1 (0.58) PARP1
SCHEMBL31311699 0.86 PARP1 (0.59) PARP1PIK3CA

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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