SCHEMBL44200

SCHEMBL44200

COP(=O)(O)c1cc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.63
PDE9A O76083 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CCNE1 P24864 4/20 0.38
CDK2 P24941 4/20 0.38
CCNE2 O96020 3/20 0.38
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 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
SCHEMBL38275 0.89 PDE5A (0.69) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38179 0.87 PDE5A (0.46) PDE5ARAB9AKDM4ELMNASMN1; SMN2
SCHEMBL37626 0.78 PDE5A (0.80) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38312 0.77 PDE5A (0.70) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37798 0.77 PDE5A (1.00) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL46289 0.77 PDE5A (0.76) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37864 0.76 PDE5A (0.82) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37584 0.74 PDE5A (0.66) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38530 0.74 PDE5A (0.73) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL38289 0.72 PDE5A (0.63) PDE5APDE9APDE1APDE1BPDE1C

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