SCHEMBL29909228

SCHEMBL29909228

CN(c1cccc(-c2ccc(C(F)(F)F)nc2)c1)c1nc2nncn2c2cc(Cl)c(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GRIN2B Q13224 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
ATM Q13315 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL23577262 1.00 NT5E (0.33) NT5EPDE10AGRIN2BABCG2FNTA
SCHEMBL23577460 0.94 NT5E (0.34) NT5EPDE10AGRIN2BABCG2FNTA
SCHEMBL31169421 0.90 FNTA (0.36) NT5EPDE10AABCG2FNTAFNTB
SCHEMBL23601434 0.90 FNTA (0.36) NT5EPDE10AABCG2FNTAFNTB
SCHEMBL23601047 0.85
SCHEMBL29909845 0.84 FNTA (0.36) ABCG2FNTAFNTB
SCHEMBL23601379 0.84 FNTA (0.36) ABCG2FNTAFNTB
SCHEMBL23577008 0.84 GABRA2 (0.37) PTGS1PTGS2
SCHEMBL23577131 0.82 FNTA (0.37) ABCG2FNTAFNTB
SCHEMBL29909025 0.82 FNTA (0.37) ABCG2FNTAFNTB

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