SCHEMBL29909547

SCHEMBL29909547

CN(c1cccc(F)c1)c1nc2nncn2c2cc(C=O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ PTGER4 P35408 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PER2 O15055 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ MAPT P10636 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
SCHEMBL23577044 1.00 ABCG2 (0.41) ABCG2PTGER4CYP2A6MEN1KMT2A
SCHEMBL23601840 0.90 ABCG2 (0.41) ABCG2PER2HCRTR1MAPT
SCHEMBL29909507 0.88 CSNK2A1 (0.37) CYP2A6MAPT
SCHEMBL23576972 0.88 CSNK2A1 (0.37) CYP2A6MAPT
SCHEMBL29909317 0.84 DHODH (0.33) ABCG2CYP2A6MEN1KMT2ADHODH
SCHEMBL23576639 0.84 DHODH (0.33) ABCG2CYP2A6MEN1KMT2ADHODH
SCHEMBL29909229 0.84 ABCG2 (0.43) ABCG2HCRTR1MAPT
SCHEMBL23577019 0.84 ABCG2 (0.43) ABCG2PER2HCRTR1MAPT
SCHEMBL23577132 0.84 ABCG2 (0.43) ABCG2HCRTR1MAPT
SCHEMBL29909802 0.84 ABCG2 (0.43) ABCG2PER2HCRTR1MAPT

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
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