SCHEMBL10025713

SCHEMBL10025713

O=Cc1nc(C(F)(F)F)n2c1CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.76

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
SCHEMBL10025681 0.90 PARP1 (0.79) PARP1
SCHEMBL10025708 0.89 PARP1 (0.80) PARP1
SCHEMBL10025667 0.89 PARP1 (0.80) PARP1
SCHEMBL10025675 0.89 PARP1 (0.77) PARP1
SCHEMBL10025559 0.89 PARP1 (0.84) PARP1
SCHEMBL10025709 0.88 PARP1 (0.83) PARP1
SCHEMBL10025549 0.87 PARP1 (0.82) PARP1
SCHEMBL10025668 0.87 PARP1 (0.79) PARP1
SCHEMBL10025718 0.87 PARP1 (0.77) PARP1
SCHEMBL14956721 0.87 PARP1 (0.75) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012019427-A1 PHTHALAZINONE KETONE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed