SCHEMBL29909252

SCHEMBL29909252

CN(c1cccc(F)c1)c1nc2nnc(Cl)n2c2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.45
DHODH Q02127 1/20 0.35
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.31
HCRTR1 O43613 1/20 0.31
KMT2A Q03164 1/20 0.31
HK1 P19367 1/20 0.31
HTT P42858 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
KCNH2 Q12809 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
SCHEMBL29909871 0.92 ABCG2 (0.40) ABCG2DHODHMAPTHK1HTT
SCHEMBL29909148 0.85 DHODH (0.39) ABCG2DHODH
SCHEMBL29909909 0.84 DHODH (0.41) ABCG2DHODH
SCHEMBL29909452 0.84 DHODH (0.38) ABCG2DHODH
SCHEMBL29909261 0.84 ABCG2 (0.32) ABCG2
SCHEMBL29909747 0.83 ABCG2 (0.36) ABCG2DHODH
SCHEMBL29909783 0.83 DHODH (0.37) ABCG2DHODH
SCHEMBL29909337 0.83 ABCG2 (0.34) ABCG2DHODH
SCHEMBL29909893 0.82 ABCG2 (0.35) ABCG2DHODH
SCHEMBL29909388 0.80 ABCG2 (0.40) 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