SCHEMBL44050

SCHEMBL44050

O=c1[nH]c(Cc2cccc(Cl)c2)nc2cc(-c3nnn[nH]3)sc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.61
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE9A O76083 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
CDC7 O00311 9/20 0.42
DBF4 Q9UBU7 9/20 0.42
ROCK1 Q13464 8/20 0.42
CCNE1 P24864 7/20 0.42
CDK2 P24941 7/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
KDR P35968 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL44521 0.87 RAB9A (0.45) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL43869 0.77 PDE5A (0.52) PDE5AKDM4ELMNAPDE9APDE1A
SCHEMBL38289 0.77 PDE5A (0.63) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL38312 0.76 PDE5A (0.70) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL37798 0.76 PDE5A (1.00) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL37584 0.75 PDE5A (0.66) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL37864 0.75 PDE5A (0.82) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL38275 0.75 PDE5A (0.69) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL37626 0.74 PDE5A (0.80) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL46289 0.72 PDE5A (0.76) PDE5ARAB9AKDM4ELMNASMN1; 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
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed