SCHEMBL6663913

SCHEMBL6663913

Cc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.79
ERBB2 P04626 11/20 0.79
AURKB Q96GD4 2/20 0.74
ERBB4 Q15303 2/20 0.74
CHEK2 O96017 1/20 0.74
ROS1 P08922 1/20 0.74
FLT3 P36888 1/20 0.74
CLK4 Q9HAZ1 1/20 0.74
MKNK2 Q9HBH9 1/20 0.74
HTT P42858 2/20 0.70
KDM4E B2RXH2 2/20 0.70
MAPK1 P28482 1/20 0.70
NCOA1 Q15788 1/20 0.68
NCOA3 Q9Y6Q9 1/20 0.68
TTBK1 Q5TCY1 1/20 0.60
TTBK2 Q6IQ55 1/20 0.60
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL6664796 0.89 HTT (0.67) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL1387244 0.88 EGFR (1.00) EGFRERBB2AURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL8808379 0.87 EGFR (0.98) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL7243965 0.87 EGFR (0.79) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL8363497 0.87 EGFR (1.00) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL1387160 0.87 EGFR (0.73) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL1387147 0.87 EGFR (0.79) EGFRERBB2AURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL7243031 0.86 EGFR (0.77) EGFRERBB2AURKBERBB4CHEK2
Hydrochloric Acid SCHEMBL8815263 0.86 EGFR (0.72) EGFRERBB2AURKBERBB4CHEK2
SCHEMBL3021044 0.86 EGFR (0.77) EGFRERBB2AURKBERBB4CHEK2

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
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO claimed
WO-2004013091-A2 4-ANILIDO SUBSTITUTED QUINAZOLINES AND USE THEREOF AS INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR KINASES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-02-12 WO disclosed