SCHEMBL23073370

SCHEMBL23073370

N#C/N=C(\N1CCC1)N1CCP(c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.53
▸ PARP3 Q9Y6F1 1/20 0.51

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
SCHEMBL14128268 0.84 PARP1 (0.53) PARP1PARP3
SCHEMBL14128270 0.83 PARP1 (0.68) PARP1PARP3
SCHEMBL29393790 0.83 PARP1 (0.68) PARP1PARP3
SCHEMBL24246331 0.83 PARP1 (0.68) PARP1PARP3
SCHEMBL14128267 0.83 PARP1 (0.68) PARP1PARP3
SCHEMBL14128269 0.83 PARP1 (0.57) PARP1PARP3
SCHEMBL23064718 0.80 PARP1 (0.69) PARP1PARP3
SCHEMBL23073369 0.78 PARP1 (0.63) PARP1
SCHEMBL23073332 0.77 PARP1 (0.60) PARP1PARP3
SCHEMBL23073371 0.77 PARP1 (0.66) PARP1

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-3925962-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE Rakovina Therapeutics Inc. (CA) 2021-12-22 — — EP disclosed
EP-2714703-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2021-03-10 — — EP disclosed
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