SCHEMBL21499884

SCHEMBL21499884

O=C=C(C1CC1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.81
TNKS O95271 1/20 0.81
ADORA1 P30542 1/20 0.81
CDK6 Q00534 1/20 0.81
PDE3A Q14432 1/20 0.81
PARP6 Q2NL67 1/20 0.81
PARP15 Q460N3 1/20 0.81
PARP14 Q460N5 1/20 0.81
PARP10 Q53GL7 1/20 0.81
TIPARP Q7Z3E1 1/20 0.81
PARP8 Q8N3A8 1/20 0.81
PARP16 Q8N5Y8 1/20 0.81
PARP12 Q9H0J9 1/20 0.81
TNKS2 Q9H2K2 1/20 0.81
PARP11 Q9NR21 1/20 0.81
PARP2 Q9UGN5 1/20 0.81
PARP4 Q9UKK3 1/20 0.81
PARP3 Q9Y6F1 1/20 0.81
PRAP1 Q96NZ9 1/20 0.70

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
Olaparib SCHEMBL29352148 0.89 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL426568 0.89 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL29392087 0.89 PARP1 (1.00) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL19569971 0.89 PARP1 (0.90) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL9280839 0.88 PARP1 (0.83) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL19228908 0.88 PARP1 (0.83) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL29188784 0.88 PARP1 (0.87) PARP1TNKSADORA1CDK6PDE3A
Olaparib SCHEMBL28083947 0.86 PARP1 (0.93) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL22852727 0.86 PARP1 (0.98) PARP1TNKSADORA1CDK6PDE3A
SCHEMBL1689371 0.86 PARP1 (0.80) PARP1TNKSADORA1CDK6PDE3A

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
EP-3556369-A1 OLAPARIB ORAL SUSTAINED AND CONTROLLED RELEASE PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-10-23 EP disclosed