Niraparib

Niraparib

SCHEMBL28370623

NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PARP1PARP2

The experimentally established mechanism targets of Niraparib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 20/20 0.98
PARP2 known ✓ Q9UGN5 12/20 0.98
PARP3 Q9Y6F1 11/20 0.98
TNKS O95271 1/20 0.98
CHRM2 P08172 1/20 0.98
CHRM1 P11229 1/20 0.98
SLC6A2 P23975 1/20 0.98
SLC6A4 P31645 1/20 0.98
ADRA1A P35348 1/20 0.98
SLC6A3 Q01959 1/20 0.98
KCNH2 Q12809 1/20 0.98
DYRK1A Q13627 1/20 0.98
PARP15 Q460N3 1/20 0.98
PARP14 Q460N5 1/20 0.98
PARP10 Q53GL7 1/20 0.98
PARP12 Q9H0J9 1/20 0.98
TNKS2 Q9H2K2 1/20 0.98
PARP4 Q9UKK3 1/20 0.98
DYRK1B Q9Y463 1/20 0.98
HRH3 Q9Y5N1 1/20 0.98

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
Niraparib SCHEMBL1421952 0.99 PARP1 (1.00) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL1421875 0.99 PARP1 (1.00) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL1422151 0.99 PARP1 (1.00) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL567839 0.98 PARP1 (0.98) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL1422061 0.98 PARP1 (0.98) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL567840 0.98 PARP1 (0.98) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL3737277 0.95 PARP1 (0.92) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL3737274 0.95 PARP1 (0.92) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL3740349 0.94 PARP1 (0.91) PARP1PARP2PARP3TNKSCHRM2
Niraparib SCHEMBL3659848 0.93 PARP1 (0.89) PARP1PARP2PARP3TNKSCHRM2

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
CN-110944638-A Nilaparib compositions 特沙诺有限公司 2020-03-31 CN disclosed