SCHEMBL22847994

SCHEMBL22847994

C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.82
ERBB3 P21860 1/20 0.82
DUS2 Q9NX74 1/20 0.82
ERBB2 P04626 11/20 0.75
ERBB4 Q15303 6/20 0.75
JAK3 P52333 2/20 0.75
GAK O14976 1/20 0.73
RIPK2 O43353 1/20 0.73
NR1I2 O75469 1/20 0.73
LCK P06239 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
SRC P12931 1/20 0.73
DRD2 P14416 1/20 0.73
ADRA2C P18825 1/20 0.73
SLC6A2 P23975 1/20 0.73
MC3R P41968 1/20 0.73
SLC6A3 Q01959 1/20 0.73
PDE4D Q08499 1/20 0.73
KCNH2 Q12809 1/20 0.73

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
SCHEMBL29731552 1.00 EGFR (0.82) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL18633091 0.91 EGFR (0.82) EGFRERBB3DUS2ERBB2
SCHEMBL18862642 0.91 EGFR (0.80) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL25829 0.91 EGFR (0.80) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL29617536 0.90 EGFR (1.00) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL29478966 0.90 EGFR (1.00) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL21801932 0.90 EGFR (1.00) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL869098 0.90 EGFR (0.79) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL18427450 0.90 EGFR (0.79) EGFRERBB3DUS2ERBB2ERBB4
SCHEMBL20325513 0.90 EGFR (0.84) EGFRERBB3DUS2ERBB2ERBB4

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-2020263893-A1 CANNABINOID CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2020-12-30 WO disclosed