SCHEMBL8308738

SCHEMBL8308738

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.66
EPHA2 P29317 11/20 0.66
EPHB4 P54760 9/20 0.66
ERBB2 P04626 5/20 0.66
EGFR P00533 7/20 0.62
GAK O14976 1/20 0.62
CLK1 P49759 2/20 0.60
AURKA O14965 1/20 0.60
INSR P06213 1/20 0.60
FBP1 P09467 1/20 0.60
PDGFRB P09619 1/20 0.60
FLT4 P35916 1/20 0.60
TEK Q02763 1/20 0.60
AURKB Q96GD4 1/20 0.60
RET P07949 2/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
LCK P06239 1/20 0.58
KIF5B P33176 1/20 0.58
FLT1 P17948 2/20 0.57

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
SCHEMBL8305714 0.89 EGFR (0.68) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL7455338 0.84 KDR (0.73) KDREPHA2EPHB4ERBB2EGFR
Hydrochloric Acid SCHEMBL7454698 0.83 KDR (0.71) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL22590721 0.83 EGFR (0.80) KDREPHB4ERBB2EGFRGAK
SCHEMBL8305182 0.81 EGFR (0.80) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL8933754 0.81 EGFR (0.80) KDREPHA2EPHB4ERBB2EGFR
Hydrochloric Acid SCHEMBL8810665 0.80 EGFR (0.79) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL8309667 0.80 IGF1R (0.67) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL8614905 0.80 BRD4 (0.44) KDREPHA2EPHB4ERBB2EGFR
SCHEMBL907163 0.79 EPHA2 (1.00) KDREPHA2EPHB4ERBB2EGFR

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