SCHEMBL30362002

SCHEMBL30362002

Fc1ccc(-c2n[nH]cc2-c2ncc3cc(-c4ccccc4)oc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
MAPT P10636 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.35
HSP90AA1 P07900 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
FAAH O00519 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPK14 Q16539 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL30361787 0.80 ADORA1 (0.36) ADORA1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30362058 0.77 S1PR1 (0.40) ADORA1EGFRFAAH
SCHEMBL30361987 0.77 S1PR1 (0.44) ADORA1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30361895 0.77 PDE10A (0.40)
SCHEMBL26104108 0.76 EGFR (0.49) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL30361897 0.76 PTGS2 (0.38) ADORA1MAPTFAAHDPP4ALDH1A1
SCHEMBL30362000 0.74 PTGS2 (0.35) ADORA1EGFRFAAH
SCHEMBL30361925 0.74 S1PR1 (0.37) ADORA1EGFRFAAH
SCHEMBL30362140 0.74 CSNK1D (0.35) ADORA1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30361907 0.72 CSNK1D (0.35) ADORA1MAPK14

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