SCHEMBL29909455

SCHEMBL29909455

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1)c1nc2nncn2c2cc(N)c(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
DHODH Q02127 1/20 0.31
OPRD1 P41143 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
SCHEMBL23577282 1.00 ABCG2 (0.33) ABCG2FNTAFNTBDHODHOPRD1
SCHEMBL23601306 0.93 SCN9A (0.33) ABCG2FNTAFNTBDHODH
SCHEMBL29909506 0.93 ABCG2 (0.35) ABCG2FNTAFNTBDHODHOPRD1
SCHEMBL23577238 0.93 ABCG2 (0.35) ABCG2FNTAFNTBDHODHOPRD1
SCHEMBL29909794 0.89 FNTA (0.34) ABCG2FNTAFNTBDHODHOPRD1
SCHEMBL23577166 0.89 FNTA (0.34) ABCG2FNTAFNTBDHODHOPRD1
SCHEMBL23577223 0.87 DHODH (0.33) ABCG2FNTAFNTBDHODH
SCHEMBL23577367 0.87 ABCG2 (0.33) ABCG2FNTAFNTBDHODHOPRD1
SCHEMBL23601359 0.87 ABL1 (0.34) ABCG2
SCHEMBL29909131 0.87 ABCG2 (0.33) ABCG2FNTAFNTBDHODHOPRD1

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