SCHEMBL19005727

SCHEMBL19005727

CC(F)(F)c1nnc2n1CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc1F)C2

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.75
TNKS O95271 2/20 0.59
TNKS2 Q9H2K2 2/20 0.59
PARP3 Q9Y6F1 2/20 0.59
PARP2 Q9UGN5 1/20 0.59
PARP6 Q2NL67 1/20 0.59
PARP15 Q460N3 1/20 0.59
PARP14 Q460N5 1/20 0.59
PARP10 Q53GL7 1/20 0.59
TIPARP Q7Z3E1 1/20 0.59
PARP12 Q9H0J9 1/20 0.59
PARP11 Q9NR21 1/20 0.59
PARP4 Q9UKK3 1/20 0.59

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
SCHEMBL19005726 0.92 PARP1 (0.75) PARP1TNKSTNKS2PARP3PARP6
SCHEMBL30888477 0.92 PARP1 (0.88) PARP1TNKSTNKS2PARP3PARP2
SCHEMBL19005724 0.92 PARP1 (0.88) PARP1TNKSTNKS2PARP3PARP2
SCHEMBL19005242 0.86 PARP1 (0.85) PARP1TNKSTNKS2PARP3PARP6
SCHEMBL19005725 0.86 PARP1 (0.66) PARP1TNKSTNKS2PARP3PARP6
SCHEMBL10025705 0.86 PARP1 (1.00) PARP1TNKSTNKS2PARP3PARP2
SCHEMBL30888475 0.86 PARP1 (1.00) PARP1TNKSTNKS2PARP3PARP2
SCHEMBL19005728 0.85 PARP1 (0.85) PARP1TNKSTNKS2PARP3PARP6
SCHEMBL19005624 0.85 PARP1 (0.88) PARP1TNKSTNKS2PARP3PARP2
SCHEMBL30546224 0.84 PARP1 (0.84) PARP1TNKSTNKS2PARP3PARP2

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-2017101796-A1 PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO disclosed