SCHEMBL30362000

SCHEMBL30362000

Fc1ccc(-c2nn(CCOC(F)(F)F)cc2-c2ncc3cc(-c4ccccc4)oc3n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
S1PR1 P21453 1/20 0.35
ABCC1 P33527 7/20 0.33
ABCG2 Q9UNQ0 7/20 0.33
ABCB1 P08183 6/20 0.33
PDE10A Q9Y233 2/20 0.32
FAAH O00519 1/20 0.31
PTGIR P43119 1/20 0.31
ADORA1 P30542 1/20 0.31
CSNK1D P48730 2/20 0.31
MAP4K4 O95819 1/20 0.31
EGFR P00533 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
SLK Q9H2G2 1/20 0.31
CSNK1E P49674 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
SCHEMBL30361925 0.88 S1PR1 (0.37) PTGS2S1PR1ABCC1ABCG2ABCB1
SCHEMBL30361895 0.87 PDE10A (0.40) PTGS2S1PR1PDE10A
SCHEMBL30361897 0.87 PTGS2 (0.38) PTGS2S1PR1PDE10AFAAHPTGIR
SCHEMBL30362058 0.85 S1PR1 (0.40) PTGS2S1PR1FAAHADORA1EGFR
SCHEMBL30361987 0.84 S1PR1 (0.44) PTGS2S1PR1FAAHADORA1EGFR
SCHEMBL26134351 0.82 EGFR (0.40) PTGS2ABCC1ABCG2ABCB1EGFR
SCHEMBL30362041 0.79 S1PR1 (0.34) PTGS2S1PR1
SCHEMBL30362033 0.77 ACVR1 (0.37) PTGS2S1PR1FAAH
SCHEMBL30361899 0.77 ACVR1 (0.37) PTGS2S1PR1FAAH
SCHEMBL30362051 0.77 ACVR1 (0.37) PTGS2S1PR1FAAH

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
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed