SCHEMBL29909160

SCHEMBL29909160

CN(c1cccc(-c2ccc(F)cc2)c1)c1nc2nncn2c2cc(N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.38
DHODH Q02127 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA2B P29275 1/20 0.31
SCN9A Q15858 1/20 0.31
EGFR P00533 1/20 0.31
PDE5A O76074 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
SCHEMBL23577162 1.00 ABCG2 (0.38) ABCG2DHODHSMN1; SMN2ADORA2AADORA1
SCHEMBL23577063 0.92 ABCG2 (0.38) ABCG2DHODHADORA2AADORA1EGFR
SCHEMBL29909869 0.92 ABCG2 (0.38) ABCG2DHODHADORA2AADORA1EGFR
SCHEMBL29909005 0.91 MAPT (0.33) ABCG2DHODHSMN1; SMN2ADORA2AADORA1
SCHEMBL23576893 0.91 MAPT (0.33) ABCG2DHODHSMN1; SMN2ADORA2AADORA1
SCHEMBL23577132 0.89 ABCG2 (0.43) ABCG2ADORA2AMAPTADORA2BEGFR
SCHEMBL29909229 0.89 ABCG2 (0.43) ABCG2ADORA2AMAPTADORA2BEGFR
SCHEMBL23576965 0.89 TP53 (0.37) MAPTTP53EGFR
SCHEMBL29909323 0.89 TP53 (0.37) MAPTTP53EGFR
SCHEMBL23576621 0.88 ABCG2 (0.45) ABCG2DHODHSMN1; SMN2MAPTTP53

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
EP-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed