SCHEMBL29909316

SCHEMBL29909316

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1)c1nc2nncn2c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ICMT O60725 1/20 0.33
OPRD1 P41143 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
TP53 P04637 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
SCHEMBL23576887 1.00 DHODH (0.40) DHODHABCG2FNTAFNTBTNKS
SCHEMBL23601217 0.90 TNKS (0.34) DHODHABCG2FNTAFNTBTNKS
SCHEMBL29909506 0.90 ABCG2 (0.35) DHODHABCG2FNTAFNTBOPRD1
SCHEMBL23577238 0.90 ABCG2 (0.35) DHODHABCG2FNTAFNTBOPRD1
SCHEMBL29909308 0.88 SMN1; SMN2 (0.36) DHODHABCG2FNTAFNTBOPRD1
SCHEMBL23577546 0.88 SMN1; SMN2 (0.36) DHODHABCG2FNTAFNTBOPRD1
SCHEMBL29909794 0.86 FNTA (0.34) DHODHABCG2FNTAFNTBICMT
SCHEMBL23577166 0.86 FNTA (0.34) DHODHABCG2FNTAFNTBICMT
SCHEMBL23577282 0.86 ABCG2 (0.33) DHODHABCG2FNTAFNTBOPRD1
SCHEMBL29909455 0.86 ABCG2 (0.33) DHODHABCG2FNTAFNTBOPRD1

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