SCHEMBL29909388

SCHEMBL29909388

CCC#Cc1nnc2nc(N(C)c3cccc(F)c3)c3cc(F)ccc3n12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.40
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL29909252 0.80 ABCG2 (0.45) ABCG2DHODHMAPT
SCHEMBL29909866 0.80 PDE5A (0.37) ABCG2
SCHEMBL29909958 0.74 ABCG2 (0.48) ABCG2MAPT
SCHEMBL23577733 0.74 ABCG2 (0.38) ABCG2
SCHEMBL29909082 0.73 ABCG2 (0.37) ABCG2KDM4EMAPTMAPK1L3MBTL1
SCHEMBL30978989 0.73 ABCG2 (0.40) ABCG2DHODH
SCHEMBL29909871 0.73 ABCG2 (0.40) ABCG2DHODHMAPT
SCHEMBL29909261 0.72 ABCG2 (0.32) ABCG2
SCHEMBL30978997 0.71 PDE5A (0.36) ABCG2ALDH1A1
SCHEMBL30979049 0.68 ABCG2 (0.43) ABCG2DHODHMAPT

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