SCHEMBL29909733

SCHEMBL29909733

CN(c1ccccc1)c1nc2nncn2c2cc(C#CCO)ccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MELK Q14680 1/20 0.34
PDPK1 O15530 1/20 0.33
CSNK2A1 P68400 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
PDE5A O76074 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL23577025 1.00 SLC6A4 (0.34) SLC6A4ALDH1A1MELKPDPK1CSNK2A1
SCHEMBL23600546 0.91 ALOX15 (0.33) CSNK2A1ABCG2CSNK2A2CSNK2BPDE5A
SCHEMBL29909301 0.90 CYP1A2 (0.33) ABCG2PDE5ASMN1; SMN2MAPT
SCHEMBL23576696 0.90 CYP1A2 (0.33) ABCG2PDE5ASMN1; SMN2MAPT
SCHEMBL23601201 0.88 GRM5 (0.36) CSNK2A1ABCG2CSNK2A2CSNK2BPDE5A
SCHEMBL23576792 0.88 PDPK1 (0.38) PDPK1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL29909000 0.87 CYP1A1 (0.39) CSNK2A1ABCG2CSNK2A2CSNK2BPDE5A
SCHEMBL23577064 0.87 CYP1A1 (0.39) CSNK2A1ABCG2CSNK2A2CSNK2BPDE5A
SCHEMBL23601182 0.86 PDE5A (0.33) CSNK2A1ABCG2CSNK2A2CSNK2BPDE5A
SCHEMBL23601418 0.86 PDE5A (0.34) CSNK2A1ABCG2CSNK2A2CSNK2BPDE5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed