SCHEMBL38035

SCHEMBL38035

N#CNC(=O)c1cc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.55
RNASEH1 O60930 1/20 0.47
CDC7 O00311 4/20 0.39
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
ROCK1 Q13464 4/20 0.39
DBF4 Q9UBU7 4/20 0.39
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TYMP P19971 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL38180 0.89 PDE5A (0.60) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL38530 0.87 PDE5A (0.73) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL46456 0.80 PDE5A (0.57) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL38484 0.80 PDE5A (0.57) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL37691 0.78 MAPT (0.50) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL46310 0.76 PDE5A (0.74) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL37626 0.76 PDE5A (0.80) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL37644 0.75 PDE5A (0.53) PDE5ARNASEH1CDC7CCNE1CDK2
SCHEMBL37942 0.73 PDE5A (0.78) PDE5ARNASEH1RAB9AKDM4ELMNA
SCHEMBL38179 0.73 PDE5A (0.46) PDE5ARNASEH1CDC7CCNE1CDK2

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