SCHEMBL29909790

SCHEMBL29909790

CCOc1ccc(-c2cccc(N(C)c3nc4nnc(Cl)n4c4ccc(F)cc34)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
DHODH Q02127 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FYN P06241 1/20 0.34
TDO2 P48775 1/20 0.34
NR1H4 Q96RI1 7/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR1I2 O75469 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELOVL1 Q9BW60 1/20 0.32
ATM Q13315 2/20 0.32
GABRA1 P14867 1/20 0.31

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
SCHEMBL29909078 0.92 PTGDR2 (0.37) NR3C1ABCG2DHODHPTGDR2FYN
SCHEMBL29909517 0.86 DHODH (0.36) NR3C1ABCG2DHODH
SCHEMBL29909783 0.85 DHODH (0.37) NR3C1ABCG2DHODHNR1H4ATM
SCHEMBL29909747 0.85 ABCG2 (0.36) ABCG2DHODH
SCHEMBL29909513 0.84 ABCG2 (0.35) ABCG2DHODHPTGDR2
SCHEMBL29909849 0.83 SCN9A (0.37) ABCG2PTGDR2FYNGRIN2BATM
SCHEMBL29909893 0.83 ABCG2 (0.35) ABCG2DHODHTDO2
SCHEMBL29909452 0.83 DHODH (0.38) ABCG2DHODHCYP2C9
SCHEMBL29909148 0.82 DHODH (0.39) NR3C1ABCG2DHODHPIK3CAGRIN2B
SCHEMBL29909252 0.82 ABCG2 (0.45) 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 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