SCHEMBL46031

SCHEMBL46031

CCCC(=O)c1cc2nc(Cc3cccc(C(F)(F)F)c3)[nH]c(=O)c2s1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.56
CDC7 O00311 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
ROCK1 Q13464 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
GPR52 Q9Y2T5 7/20 0.41
GRIA2 P42262 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
TPH1 P17752 1/20 0.40
TPH2 Q8IWU9 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL37797 0.87 PDE5A (0.72) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL10083476 0.82 PDE5A (0.51) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL46456 0.81 PDE5A (0.57) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL37583 0.74 PDE5A (0.78) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL10083509 0.74 PDE5A (0.58) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL38065 0.74 PDE5A (0.77) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL4520486 0.74 PDE5A (0.56) PDE5AGPR52KMT2A
SCHEMBL3493412 0.73 PDE5A (0.72) PDE5AGPR52KMT2A
SCHEMBL37513 0.73 PDE5A (0.79) PDE5ACDC7CCNE1CDK2ROCK1
SCHEMBL405695 0.72 PDE5A (0.72) PDE5AKMT2A

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