SCHEMBL4702188

SCHEMBL4702188

O=C(CN(C(=O)C(F)(F)F)c1ccc2c(Cc3ccncc3)n[nH]c(=O)c2c1)Nc1ccc2c(Cc3ccncc3)n[nH]c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 2/20 0.38
PKM P14618 1/20 0.37
ENPP1 P22413 1/20 0.36

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
SCHEMBL4698922 0.83 PARP1 (0.66) PARP1SMN1; SMN2ARENPP1
Hydrochloric Acid SCHEMBL905525 0.82 PARP1 (0.64) PARP1SMN1; SMN2ARENPP1
SCHEMBL4702185 0.79 PARP1 (0.60) PARP1SMN1; SMN2ARENPP1
SCHEMBL4697385 0.77 PARP1 (0.64) PARP1ARENPP1
SCHEMBL4698713 0.71 PARP1 (0.66) PARP1SMN1; SMN2
SCHEMBL4699324 0.70 HIF1A (0.55) PARP1
SCHEMBL4701253 0.69 PARP1 (0.64) PARP1ENPP1
SCHEMBL4700116 0.69 PARP1 (0.57) PARP1
SCHEMBL4702145 0.68 MAPT (0.59) PARP1SMN1; SMN2PKM
SCHEMBL4697231 0.68 PARP1 (0.53) PARP1SMN1; SMN2

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
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP disclosed