SCHEMBL5748383

SCHEMBL5748383

COCCOCC(=O)N1CCC(Oc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2OC)C1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.77
ERBB2 P04626 11/20 0.69
GAK O14976 1/20 0.67
RIPK2 O43353 1/20 0.67
LYN P07948 1/20 0.67
RET P07949 1/20 0.67
EPHA1 P21709 1/20 0.67
ERBB3 P21860 1/20 0.67
EPHA2 P29317 1/20 0.67
EPHB2 P29323 1/20 0.67
EPHA5 P54756 1/20 0.67
EPHB4 P54760 1/20 0.67
EPHA4 P54764 1/20 0.67
ADK P55263 1/20 0.67
PTK6 Q13882 1/20 0.67
RIPK3 Q9Y572 1/20 0.67

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
SCHEMBL3961019 1.00 EGFR (0.77) EGFRERBB2GAKRIPK2LYN
SCHEMBL4080230 0.96 EGFR (0.84) EGFRERBB2GAKRIPK2LYN
SCHEMBL5746392 0.94 EGFR (0.82) EGFRERBB2GAKRIPK2LYN
SCHEMBL3955243 0.94 EGFR (0.82) EGFRERBB2GAKRIPK2LYN
SCHEMBL5749358 0.92 EGFR (0.78) EGFRERBB2GAKRIPK2LYN
SCHEMBL3960784 0.92 EGFR (0.78) EGFRERBB2GAKRIPK2LYN
SCHEMBL3955254 0.92 EGFR (0.91) EGFRERBB2GAKRIPK2LYN
SCHEMBL6604644 0.92 EGFR (0.91) EGFRERBB2GAKRIPK2LYN
SCHEMBL3129292 0.92 EGFR (0.91) EGFRERBB2GAKRIPK2LYN
SCHEMBL3960147 0.90 EGFR (0.81) EGFRERBB2GAKRIPK2LYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667996-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP claimed
WO-2005026157-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 WO claimed
EP-1667996-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005026157-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 WO disclosed