SCHEMBL29909513

SCHEMBL29909513

CN(c1cccc(-c2ccc(C3CC3)nc2)c1)c1nc2nnc(Cl)n2c2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
DHODH Q02127 1/20 0.35
MAP3K5 Q99683 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL29909128 0.91 ABCG2 (0.34) ABCG2DHODH
SCHEMBL29909542 0.91 ABCG2 (0.34) ABCG2MAP3K5PTGS1PTGS2
SCHEMBL29909783 0.85 DHODH (0.37) ABCG2DHODH
SCHEMBL29909747 0.85 ABCG2 (0.36) ABCG2DHODH
SCHEMBL29909790 0.84 NR3C1 (0.37) ABCG2DHODHPTGDR2
SCHEMBL29909078 0.83 PTGDR2 (0.37) ABCG2DHODHPTGDR2
SCHEMBL29909148 0.82 DHODH (0.39) ABCG2DHODH
SCHEMBL29909252 0.82 ABCG2 (0.45) ABCG2DHODH
SCHEMBL29909893 0.81 ABCG2 (0.35) ABCG2DHODH
SCHEMBL29909871 0.79 ABCG2 (0.40) ABCG2DHODH

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