SCHEMBL23601210

SCHEMBL23601210

CN(c1ccccc1)c1nc(=N)n(C=N)c2ccc(-c3ccncc3)cc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.36
HTR6 P50406 3/20 0.34
MKNK1 Q9BUB5 1/20 0.34
PIK3CA P42336 1/20 0.33
FAAH O00519 1/20 0.33
GRK2 P25098 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL23601723 0.91 PDE5A (0.36) PDE5AHTR6MAPT
SCHEMBL23601707 0.84 PDE5A (0.42) PDE5ADHODHABCG2
SCHEMBL23601734 0.80 PDE5A (0.34) PDE5A
SCHEMBL23601069 0.78 PDE5A (0.37) PDE5AMAPT
SCHEMBL23601722 0.76 PDE5A (0.36) PDE5A
SCHEMBL23576879 0.76 HTR6 (0.37) PDE5AHTR6MKNK1PIK3CA
SCHEMBL30961016 0.76 HTR6 (0.37) PDE5AHTR6MKNK1PIK3CA
SCHEMBL23601804 0.75 CHEK1 (0.38) PDE5AMAPTSMN1; SMN2
SCHEMBL23601391 0.74 EGFR (0.46)
SCHEMBL23600980 0.73 EGFR (0.36) PDE5AMAPTSMN1; SMN2ABCG2

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed