SCHEMBL4702185

SCHEMBL4702185

CC(=O)Nc1ccc2c(Cc3ccncc3)n[nH]c(=O)c2c1.O=C(Nc1ccc2c(Cc3ccncc3)n[nH]c(=O)c2c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.60
AR P10275 1/20 0.48
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ENPP1 P22413 1/20 0.40
MTNR1B P49286 1/20 0.40

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 0.95 PARP1 (0.66) PARP1ARSMN1; SMN2ENPP1
Hydrochloric Acid SCHEMBL905525 0.94 PARP1 (0.64) PARP1ARSMN1; SMN2ENPP1
SCHEMBL4697385 0.92 PARP1 (0.64) PARP1ARTSHRCYP17A1CYP11B1
SCHEMBL4702188 0.79 PARP1 (0.46) PARP1ARSMN1; SMN2ENPP1
SCHEMBL905663 0.75 FLT1 (0.46) PARP1SMN1; SMN2
SCHEMBL12955553 0.74 PARP1 (0.76) PARP1ARTSHRSMN1; SMN2ENPP1
SCHEMBL4699720 0.72 PARP1 (0.53) PARP1ENPP1
SCHEMBL4700116 0.72 PARP1 (0.57) PARP1
SCHEMBL4699324 0.72 HIF1A (0.55) PARP1TSHRL3MBTL1
SCHEMBL6607498 0.71 TSHR (0.56) TSHRCYP17A1CYP11B1CYP11B2

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