SCHEMBL19005728

SCHEMBL19005728

O=C(c1cc(Cc2n[nH]c(=O)c3cc(F)ccc23)ccc1F)N1CCn2c(nnc2C2CC2)C1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.85
TNKS O95271 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
TNKS2 Q9H2K2 1/20 0.59
PARP11 Q9NR21 1/20 0.59
PARP4 Q9UKK3 1/20 0.59
PARP3 Q9Y6F1 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
SCHEMBL26573770 0.90 PARP1 (0.84) PARP1TNKSPARP6PARP15PARP14
SCHEMBL30546067 0.87 PARP1 (0.79) PARP1TNKSPARP6PARP15PARP14
SCHEMBL26125894 0.87 PARP1 (0.79) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005725 0.87 PARP1 (0.66) PARP1TNKSPARP6PARP15PARP14
SCHEMBL30546197 0.86 PARP1 (0.78) PARP1TNKSPARP6PARP15PARP14
SCHEMBL26122348 0.86 PARP1 (0.78) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005727 0.85 PARP1 (0.75) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005726 0.85 PARP1 (0.75) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005254 0.81 PARP1 (0.80) PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005709 0.80 PARP1 (0.79) PARP1TNKSPARP6PARP15PARP14

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