SCHEMBL20792806

SCHEMBL20792806

COc1cc2c(Nc3ccc(O)cc3)ncnc2cc1O

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.87
KDR P35968 10/20 0.87
RET P07949 7/20 0.87
RIPK2 O43353 2/20 0.87
JAK3 P52333 2/20 0.87
GAK O14976 1/20 0.87
STK10 O94804 1/20 0.87
FLT3 P36888 1/20 0.87
AAK1 Q2M2I8 1/20 0.87
Q6ZSR9 Q6ZSR9 1/20 0.87
SLK Q9H2G2 1/20 0.87
IRAK4 Q9NWZ3 1/20 0.87
RPS6KA6 Q9UK32 1/20 0.87
ALK Q9UM73 1/20 0.87
LCK P06239 3/20 0.85
KIF5B P33176 5/20 0.74
RAF1 P04049 1/20 0.74
BRAF P15056 1/20 0.74
AURKB Q96GD4 2/20 0.68
AURKA O14965 1/20 0.67

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
Whi-P131 SCHEMBL29295 0.93 EGFR (1.00) EGFRKDRRETRIPK2JAK3
Whi-P131 SCHEMBL29369589 0.93 EGFR (1.00) EGFRKDRRETRIPK2JAK3
Whi-P131 SCHEMBL6068752 0.92 EGFR (1.00) EGFRKDRRETRIPK2JAK3
SCHEMBL14159636 0.91 KDR (0.73) EGFRKDRRETRIPK2JAK3
SCHEMBL6675906 0.91 KDR (0.73) EGFRKDRRETRIPK2JAK3
SCHEMBL13604745 0.89 EGFR (0.82) EGFRKDRRETRIPK2JAK3
SCHEMBL6689820 0.86 AURKB (0.73) EGFRKDRRETRIPK2JAK3
SCHEMBL907182 0.86 KDR (0.77) EGFRKDRRETRIPK2JAK3
SCHEMBL14964757 0.86 EGFR (0.81) EGFRKDRRETRIPK2JAK3
SCHEMBL5242610 0.86 KDR (0.81) EGFRKDRRETRIPK2JAK3

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-2019040706-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VITILIGO ACLARIS THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed