SCHEMBL23601804

SCHEMBL23601804

CN(c1ccccc1)c1nc(=N)n(C=N)c2cc(-c3cccs3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.38
CSNK2A1 P68400 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PDE5A O76074 2/20 0.34
ALK Q9UM73 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK4 P11802 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
SCHEMBL23601707 0.86 PDE5A (0.42) CSNK2A1CSNK2A2CSNK2BPDE5A
SCHEMBL23601723 0.84 PDE5A (0.36) CHEK1PDE5AMAPTMEN1KMT2A
SCHEMBL23601069 0.82 PDE5A (0.37) CSNK2A1CSNK2A2CSNK2BPDE5AMAPT
SCHEMBL23601722 0.80 PDE5A (0.36) CSNK2A1CSNK2A2CSNK2BPDE5A
SCHEMBL23601557 0.78 LMNA (0.40) LMNAHPGD
SCHEMBL23601391 0.78 EGFR (0.46)
SCHEMBL29909858 0.77 CSNK2A1 (0.36) CHEK1CSNK2A1CSNK2A2CSNK2BPDE5A
SCHEMBL23577892 0.77 CSNK2A1 (0.36) CHEK1CSNK2A1CSNK2A2CSNK2BPDE5A
SCHEMBL23601519 0.76 ABCG2 (0.46) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL23601210 0.75 PDE5A (0.36) PDE5AMAPTSMN1; SMN2

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