SCHEMBL9973641

SCHEMBL9973641

CC#C/C(=N\OCCNC)c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.61
EGFR P00533 16/20 0.61
GAK O14976 1/20 0.58
ERBB4 Q15303 2/20 0.57
ABL1 P00519 3/20 0.53
INSR P06213 3/20 0.53
PDGFRB P09619 3/20 0.53
CDK2 P24941 3/20 0.53
PLK1 P53350 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53

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
SCHEMBL2478977 0.93 EGFR (0.60) ERBB2EGFRGAKERBB4ABL1
SCHEMBL6955065 0.93 EGFR (0.60) ERBB2EGFRGAKERBB4ABL1
SCHEMBL2478975 0.93 EGFR (0.60) ERBB2EGFRGAKERBB4ABL1
SCHEMBL29651885 0.93 EGFR (0.60) ERBB2EGFRGAKERBB4ABL1
SCHEMBL29651886 0.93 EGFR (0.62) ERBB2EGFRGAKERBB4ABL1
SCHEMBL3698690 0.93 EGFR (0.62) ERBB2EGFRGAKERBB4ABL1
SCHEMBL6959360 0.93 EGFR (0.62) ERBB2EGFRGAKERBB4ABL1
SCHEMBL3698693 0.93 EGFR (0.62) ERBB2EGFRGAKERBB4ABL1
SCHEMBL12202155 0.92 EGFR (0.61) ERBB2EGFRGAKERBB4ABL1
SCHEMBL20436802 0.92 EGFR (0.65) ERBB2EGFRGAKERBB4ABL1

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
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed