SCHEMBL5489248

SCHEMBL5489248

COc1ccc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.70
ERBB2 P04626 15/20 0.70
LCK P06239 1/20 0.65
ERBB4 Q15303 2/20 0.63
ERBB3 P21860 1/20 0.63
AURKA O14965 1/20 0.59
RPS6KB1 P23443 1/20 0.59
KCNH2 Q12809 3/20 0.56
GAK O14976 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
SCHEMBL8305182 0.89 EGFR (0.80) EGFRERBB2LCKERBB4ERBB3
SCHEMBL6980188 0.87 ERBB2 (0.73) EGFRERBB2LCKERBB4ERBB3
SCHEMBL215281 0.86 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL30638102 0.86 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL2255348 0.86 EGFR (0.69) EGFRERBB2LCKERBB4ERBB3
SCHEMBL4864889 0.82 ERBB2 (0.67) EGFRERBB2LCKERBB4ERBB3
SCHEMBL2247576 0.82 EGFR (0.64) EGFRERBB2LCKERBB4ERBB3
SCHEMBL29087930 0.82 EGFR (0.71) EGFRERBB2LCKERBB4ERBB3
SCHEMBL3808064 0.82 ERBB2 (0.83) EGFRERBB2KCNH2
SCHEMBL217990 0.82 EGFR (0.68) EGFRERBB2LCKGAK

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-1844022-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2007-10-17 EP disclosed
WO-2006071017-A1 QUINAZOLINE DERIVATIVES FOR INHIBITING CANCER CELL GROWTH AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2006-07-06 WO disclosed