SCHEMBL5756329

SCHEMBL5756329

CC(O)C(=O)N1CCC(Oc2cc3ncnc(Nc4cccc(Cl)c4F)c3cc2OCCC2CCCN2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.63
EGFR P00533 12/20 0.62
GAK O14976 1/20 0.59
RIPK2 O43353 1/20 0.59
LYN P07948 1/20 0.59
RET P07949 1/20 0.59
EPHA1 P21709 1/20 0.59
ERBB3 P21860 1/20 0.59
EPHA2 P29317 1/20 0.59
EPHB2 P29323 1/20 0.59
EPHA5 P54756 1/20 0.59
EPHB4 P54760 1/20 0.59
EPHA4 P54764 1/20 0.59
ADK P55263 1/20 0.59
PTK6 Q13882 1/20 0.59
RIPK3 Q9Y572 1/20 0.59

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
SCHEMBL4089182 0.89 EGFR (0.67) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4755241 0.88 EGFR (0.70) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4081431 0.88 EGFR (0.70) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4077611 0.86 EGFR (0.80) ERBB2EGFRGAKRIPK2LYN
SCHEMBL1382018 0.86 EGFR (0.80) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4089078 0.86 EGFR (0.80) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4087486 0.85 EGFR (0.69) ERBB2EGFRGAKRIPK2LYN
Hydrochloric Acid SCHEMBL5756732 0.85 EGFR (0.58) ERBB2EGFRGAKRIPK2LYN
SCHEMBL5755439 0.85 EGFR (0.69) ERBB2EGFRGAKRIPK2LYN
SCHEMBL4085901 0.84 EGFR (0.67) ERBB2EGFRGAKRIPK2LYN

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-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO disclosed