SCHEMBL7763487

SCHEMBL7763487

Fc1ccc(Nc2ncnc3ccc(NCCCN4CCCC4)cc23)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
ERBB2 P04626 4/20 0.56
ERBB4 Q15303 4/20 0.56
CIT O14578 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
ABCC4 O15439 1/20 0.56
DAPK3 O43293 1/20 0.56
RIPK2 O43353 1/20 0.56
NR1I2 O75469 1/20 0.56
RPS6KA4 O75676 1/20 0.56
STK17B O94768 1/20 0.56
STK10 O94804 1/20 0.56
PRKD3 O94806 1/20 0.56
ABCB11 O95342 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
ABL1 P00519 1/20 0.56
LCK P06239 1/20 0.56
LYN P07948 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
SCHEMBL8629162 0.92 EGFR (0.79) EGFRERBB2ERBB4CITGAK
SCHEMBL7766270 0.87 EGFR (0.72) EGFRERBB2ERBB4CITGAK
SCHEMBL7770429 0.86 EGFR (0.72) EGFRERBB2ERBB4CITGAK
SCHEMBL7763501 0.81 EGFR (0.66) EGFRERBB2BRAFFLT4KDR
SCHEMBL26066963 0.81 EGFR (0.52) EGFRERBB2ERBB4HRH3
SCHEMBL12012 0.80 EGFR (1.00) EGFRERBB2ERBB4CITGAK
SCHEMBL17520338 0.80 EGFR (1.00) EGFRERBB2ERBB4CITGAK
SCHEMBL11395 0.79 EGFR (1.00) EGFRERBB2ERBB4CITGAK
SCHEMBL17520333 0.79 EGFR (0.95) EGFRERBB2ERBB4CITGAK
SCHEMBL3578798 0.79 EGFR (0.77) EGFRERBB2ERBB4CITGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824526-B1 QUINAZOLINE DERIVATIVE ASTRAZENECA AB (SE) 2001-06-13 EP claimed
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US claimed
EP-0824526-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1998-02-25 EP claimed
WO-1996033978-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1996-10-31 WO claimed
EP-0824526-B1 QUINAZOLINE DERIVATIVE ASTRAZENECA AB (SE) 2001-06-13 EP disclosed
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US disclosed
EP-0824526-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1998-02-25 EP disclosed
WO-1996033978-A1 QUINAZOLINE DERIVATIVE ZENECA LIMITED (GB) 1996-10-31 WO disclosed