SCHEMBL29909413

SCHEMBL29909413

CCC=Cc1nnc2nc(N(C)c3ccccc3)c3ccccc3n12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
EGFR P00533 4/20 0.35
PDGFRB P09619 3/20 0.33
KDR P35968 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL30979027 0.81 PDE5A (0.41) PDE5AEGFR
SCHEMBL30979122 0.79 PDE5A (0.43) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL29213130 0.79 PDE5A (0.43) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL30978980 0.79 PDE5A (0.43) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL23577096 0.78 PDE5A (0.40) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL29909190 0.78 PDE5A (0.40) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL29909866 0.77 PDE5A (0.37) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL30979143 0.77 PDE5A (0.41) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR
SCHEMBL30979000 0.76 PDE5A (0.39) PDE5AEGFRPDGFRBKDR
SCHEMBL29210703 0.76 PDE5A (0.40) PDE5ACSNK2A2CSNK2BCSNK2A1EGFR

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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed