SCHEMBL359451

SCHEMBL359451

CC(C)(C)OC(=O)N1CCCC(n2nc3c(C(N)=O)cccc3c2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
PIK3CD O00329 1/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.42
PIK3R3 Q92569 1/20 0.42
FPR2 P25090 1/20 0.42
ACKR3 P25106 1/20 0.40
BTK Q06187 2/20 0.40
USP30 Q70CQ3 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39

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
SCHEMBL359388 0.94 PARP1 (0.50) PARP1PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL359239 0.89 PARP1 (0.51) PARP1
SCHEMBL357915 0.83 PARP1 (0.43) PARP1USP30
SCHEMBL361173 0.80 PARP1 (0.41) PARP1USP30
SCHEMBL28624126 0.79 PARP1 (0.55) PARP1BTKJAK2JAK1
SCHEMBL359678 0.79 PARP1 (0.47) PARP1JAK2JAK1
SCHEMBL358920 0.78 NR3C1 (0.43) PARP1FPR2
SCHEMBL358670 0.78 PARP1 (0.52) PARP1
SCHEMBL370599 0.77 PARP1 (0.46) PARP1ACKR3USP30JAK2JAK1
SCHEMBL30879938 0.77 PIK3CD (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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