SCHEMBL10173016

SCHEMBL10173016

CC(=O)N1CCC(n2nc3c(C(N)=O)cccc3c2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
PARP2 Q9UGN5 3/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
PARP14 Q460N5 1/20 0.37
CD38 P28907 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37

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
SCHEMBL368905 0.90 PARP1 (0.49) PARP1
SCHEMBL358333 0.85 PARP1 (0.48) PARP1PARP2MAP3K7TAB1AURKA
SCHEMBL358670 0.85 PARP1 (0.52) PARP1
SCHEMBL359581 0.83 RPS6KB1 (0.48) PARP1PARP2AURKARPS6KB1
SCHEMBL358653 0.80 PARP1 (0.47) PARP1
SCHEMBL358621 0.79 RPS6KB1 (0.47) PARP1PARP2PARP14AURKARPS6KB1
SCHEMBL360298 0.79 PARP1 (0.47) PARP1JAK2
SCHEMBL27917361 0.79 IGF1R (0.38) PARP1KMT2APARP14
SCHEMBL358735 0.77 PARP1 (0.49) PARP1PARP2PARP14AURKARPS6KB1
SCHEMBL359678 0.77 PARP1 (0.47) PARP1JAK2KMT2A

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