SCHEMBL8305714

SCHEMBL8305714

COc1cc2ncnc(Nc3ccc(OCc4nccn4C)c(C)c3)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.68
ERBB2 P04626 2/20 0.68
RET P07949 4/20 0.63
CLK1 P49759 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
LCK P06239 3/20 0.59
KDR P35968 11/20 0.57
EPHA2 P29317 2/20 0.57
EPHB4 P54760 2/20 0.57
KIF5B P33176 2/20 0.57
GAK O14976 1/20 0.55
RIPK2 O43353 1/20 0.55
STK10 O94804 1/20 0.55
FLT3 P36888 1/20 0.55
JAK3 P52333 1/20 0.55
AAK1 Q2M2I8 1/20 0.55
Q6ZSR9 Q6ZSR9 1/20 0.55
SLK Q9H2G2 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
RPS6KA6 Q9UK32 1/20 0.55

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
SCHEMBL8308738 0.89 KDR (0.66) EGFRERBB2RETCLK1ABCG2
SCHEMBL7455338 0.89 KDR (0.73) EGFRERBB2RETCLK1ABCG2
Hydrochloric Acid SCHEMBL7454698 0.88 KDR (0.71) EGFRERBB2RETCLK1ABCG2
SCHEMBL8308795 0.82 KDR (0.74) EGFRERBB2RETCLK1ABCG2
SCHEMBL8306859 0.81 EGFR (1.00) EGFRERBB2RETCLK1ABCG2
Hydrochloric Acid SCHEMBL8309362 0.80 EGFR (0.98) EGFRERBB2RETCLK1ABCG2
Hydrochloric Acid SCHEMBL8809576 0.80 EGFR (0.76) EGFRERBB2RETCLK1ABCG2
SCHEMBL8305107 0.79 EGFR (0.69) EGFRERBB2RETCLK1ABCG2
SCHEMBL8307447 0.78 KDR (0.76) EGFRERBB2RETCLK1ABCG2
SCHEMBL5565204 0.78 KDR (0.79) EGFRRETCLK1ABCG2LCK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP claimed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed