SCHEMBL29909561

SCHEMBL29909561

CN(c1cccc(-c2ccc(C(F)(F)F)cc2F)c1)c1nc2nnc(Cl)n2c2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
HSD11B1 P28845 1/20 0.35
GRM2 Q14416 1/20 0.34
DHODH Q02127 3/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
PDE2A O00408 4/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE10A Q9Y233 3/20 0.31
DHFR P00374 1/20 0.31
EGFR P00533 2/20 0.31
CSF1R P07333 2/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
MCHR1 Q99705 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
SCHEMBL29909148 0.90 DHODH (0.39) ABCG2DHODHPDE2ATDP1DHFR
SCHEMBL29909252 0.82 ABCG2 (0.45) ABCG2DHODH
SCHEMBL29909783 0.82 DHODH (0.37) ABCG2DHODHNR3C1PGR
SCHEMBL29909452 0.81 DHODH (0.38) ABCG2DHODH
SCHEMBL29909078 0.80 PTGDR2 (0.37) ABCG2DHODHNR3C1
SCHEMBL29909024 0.79 ABCG2 (0.37) ABCG2DHODHPDE2ADHFREGFR
SCHEMBL29909871 0.79 ABCG2 (0.40) ABCG2DHODHCSF1R
SCHEMBL23601022 0.78 HSD11B1 (0.37) ABCG2HSD11B1GRM2ALOX5APFEN1
SCHEMBL30960977 0.78 HSD11B1 (0.37) ABCG2HSD11B1GRM2ALOX5APFEN1
SCHEMBL29909909 0.78 DHODH (0.41) 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