SCHEMBL29909700

SCHEMBL29909700

CN(c1cccc(-c2cnc(N)nc2)c1)c1nc2nncn2c2cc(Cl)c(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
MAP4K4 O95819 1/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
DHODH Q02127 1/20 0.31
ALOX5AP P20292 1/20 0.31
AKT1 P31749 1/20 0.30
MTOR P42345 1/20 0.30
GRIN2B Q13224 2/20 0.30
SYK P43405 1/20 0.30
PDPK1 O15530 2/20 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
SCHEMBL23577201 1.00 ABCG2 (0.35) ABCG2MAP4K4PIK3CAPIK3CDPIK3CB
SCHEMBL23576626 0.91 MAP4K4 (0.36) ABCG2MAP4K4PIK3CAPIK3CDFNTA
SCHEMBL29909818 0.91 MAP4K4 (0.36) ABCG2MAP4K4PIK3CAPIK3CDFNTA
SCHEMBL23577460 0.86 NT5E (0.34) ABCG2FNTAFNTBDHODHGRIN2B
SCHEMBL23578530 0.86 ABCG2 (0.33) ABCG2GRIN2B
SCHEMBL23600994 0.86 GRM2 (0.36) ABCG2PIK3CAPIK3CDPIK3CGGRIN2B
SCHEMBL29909434 0.86 ABCG2 (0.42) ABCG2GRIN2B
SCHEMBL23577999 0.86 ABCG2 (0.42) ABCG2GRIN2B
SCHEMBL23601023 0.85 ABCG2 (0.32) ABCG2
SCHEMBL23577166 0.84 FNTA (0.34) ABCG2FNTAFNTBDHODH

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