SCHEMBL29909148

SCHEMBL29909148

CN(c1cccc(-c2ccc(C(F)(F)F)cc2)c1)c1nc2nnc(Cl)n2c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NT5E P21589 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN9A Q15858 2/20 0.32
DHFR P00374 1/20 0.31
PDE2A O00408 1/20 0.31
PIK3CA P42336 1/20 0.31
GRIN2B Q13224 1/20 0.31
EGFR P00533 2/20 0.31
CSF1R P07333 2/20 0.31
ERBB2 P04626 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
SCHEMBL29909024 0.90 ABCG2 (0.37) DHODHABCG2SCN9ADHFRPDE2A
SCHEMBL29909561 0.90 ABCG2 (0.35) DHODHABCG2NR3C1PGRTDP1
SCHEMBL29909452 0.89 DHODH (0.38) DHODHABCG2SCN9A
SCHEMBL29909783 0.89 DHODH (0.37) DHODHABCG2NR3C1PGRNT5E
SCHEMBL29909078 0.86 PTGDR2 (0.37) DHODHABCG2NR3C1SCN9A
SCHEMBL29909909 0.86 DHODH (0.41) DHODHABCG2
SCHEMBL29909252 0.85 ABCG2 (0.45) DHODHABCG2
SCHEMBL29909517 0.84 DHODH (0.36) DHODHABCG2NR3C1PDE2A
SCHEMBL29909829 0.83 ABCG2 (0.36) DHODHABCG2
SCHEMBL29909871 0.82 ABCG2 (0.40) DHODHABCG2CSF1R

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