SCHEMBL252930

SCHEMBL252930

CN1CCC(Oc2ccc(N=N/C=c3/[nH]c(=O)/c(=C/c4c[nH]c5ncncc45)s3)c(Cl)c2)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
USP2 O75604 1/20 0.32
USP1 O94782 1/20 0.32
USP8 P40818 1/20 0.32
OTUB1 Q96FW1 1/20 0.32
CHEK2 O96017 1/20 0.32

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
SCHEMBL252931 1.00 PARP1 (0.34) PARP1USP2USP1USP8OTUB1
SCHEMBL252929 1.00 PARP1 (0.34) PARP1USP2USP1USP8OTUB1
SCHEMBL9236438 0.85 HPGD (0.36) PARP1CHEK2
SCHEMBL8510897 0.79 HPGD (0.38) PARP1USP2
SCHEMBL8510894 0.79 HPGD (0.38) PARP1USP2
SCHEMBL8589188 0.77 CDC7 (0.35) PARP1
SCHEMBL249815 0.76 HPGD (0.41) USP2
SCHEMBL8510423 0.76 HPGD (0.41) USP2
SCHEMBL9233593 0.74 CDC7 (0.39) PARP1CHEK2
SCHEMBL655203 0.72 PARP1 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588478-A1 AZAINDOLE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2013-05-08 EP disclosed
WO-2012002568-A1 AZAINDOLE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2012-01-05 WO disclosed