SCHEMBL359589

SCHEMBL359589

NC(=O)c1cccc2c(Br)n(C3CCNCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.49
AURKA O14965 4/20 0.49
PARP1 P09874 15/20 0.46
PARP2 Q9UGN5 3/20 0.46

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
SCHEMBL359585 0.93 RPS6KB1 (0.47) RPS6KB1AURKAPARP1PARP2
SCHEMBL359270 0.86 PARP1 (0.49) RPS6KB1AURKAPARP1PARP2
SCHEMBL359581 0.85 RPS6KB1 (0.48) RPS6KB1AURKAPARP1PARP2
SCHEMBL358323 0.84 RPS6KB1 (0.44) RPS6KB1AURKAPARP1PARP2
SCHEMBL358663 0.83 RPS6KB1 (0.47) RPS6KB1AURKAPARP1PARP2
Hydrochloric Acid SCHEMBL357948 0.82 RPS6KB1 (0.48) RPS6KB1AURKAPARP1PARP2
SCHEMBL358329 0.81 PARP1 (0.46) RPS6KB1AURKAPARP1PARP2
SCHEMBL359419 0.80 PARP1 (0.40) RPS6KB1AURKAPARP1PARP2
SCHEMBL359578 0.80 PARP1 (0.47) RPS6KB1AURKAPARP1PARP2
SCHEMBL359239 0.80 PARP1 (0.51) 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 3 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
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed