SCHEMBL38235

SCHEMBL38235

O=C(O)c1cc2nc(Cc3ccccc3F)[nH]c(=O)c2s1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.62
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 2/20 0.41
CDC7 O00311 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
ROCK1 Q13464 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
KMT2A Q03164 2/20 0.38
RNASEH1 O60930 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DAO P14920 1/20 0.37

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
SCHEMBL37737 0.86 PDE5A (0.68) PDE5APOLBKDM4ELMNAMAPT
SCHEMBL37513 0.84 PDE5A (0.79) PDE5AKDM4EPKMCDC7CCNE1
SCHEMBL37796 0.82 PDE5A (0.69) PDE5APOLBKDM4ELMNAMAPT
SCHEMBL3491968 0.82 PDE5A (0.62) PDE5APOLBKDM4ELMNAMAPT
SCHEMBL44227 0.81 PDE5A (0.67) PDE5ALMNARAB9ACDC7CCNE1
SCHEMBL38065 0.81 PDE5A (0.77) PDE5ARAB9ACDC7CCNE1CDK2
SCHEMBL46310 0.79 PDE5A (0.74) PDE5APOLBKDM4ELMNARAB9A
SCHEMBL38116 0.78 PDE5A (0.63) PDE5APOLBKDM4ELMNAPKM
SCHEMBL38005 0.78 PDE5A (0.69) PDE5AKDM4ECDC7CCNE1CDK2
SCHEMBL37583 0.77 PDE5A (0.78) PDE5AKDM4ECDC7CCNE1CDK2

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-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed