SCHEMBL358323

SCHEMBL358323

CC1CCNCC1n1nc2c(C(N)=O)cccc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 6/20 0.44
PARP1 P09874 12/20 0.43
AURKA O14965 5/20 0.42
PARP2 Q9UGN5 4/20 0.40
PARP3 Q9Y6F1 3/20 0.40
TNKS O95271 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
DYRK1A Q13627 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP12 Q9H0J9 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP4 Q9UKK3 1/20 0.40

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
SCHEMBL359419 0.90 PARP1 (0.40) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL359319 0.88 RPS6KB1 (0.45) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL359585 0.87 RPS6KB1 (0.47) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL360015 0.85 RPS6KB1 (0.43) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL359589 0.84 RPS6KB1 (0.49) RPS6KB1PARP1AURKAPARP2
SCHEMBL359270 0.81 PARP1 (0.49) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL12503366 0.78 PARP1 (0.39) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL358621 0.78 RPS6KB1 (0.47) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL361167 0.76 RPS6KB1 (0.47) RPS6KB1PARP1AURKAPARP2PARP3
SCHEMBL358329 0.76 PARP1 (0.46) RPS6KB1PARP1AURKAPARP2PARP3

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
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO claimed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed