SCHEMBL4539126

SCHEMBL4539126

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1OCCO1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.74
▸ KDR P35968 4/20 0.74
▸ EPHB4 P54760 4/20 0.74
▸ ERBB2 P04626 2/20 0.74
▸ FLT4 P35916 2/20 0.74
▸ AURKA O14965 1/20 0.74
▸ INSR P06213 1/20 0.74
▸ FBP1 P09467 1/20 0.74
▸ PDGFRB P09619 1/20 0.74
▸ CLK1 P49759 1/20 0.74
▸ TEK Q02763 1/20 0.74
▸ AURKB Q96GD4 1/20 0.74
▸ EPHA2 P29317 2/20 0.73
▸ CIT O14578 1/20 0.67
▸ GAK O14976 1/20 0.67
▸ EPHB6 O15197 1/20 0.67
▸ ABCC4 O15439 1/20 0.67
▸ DAPK3 O43293 1/20 0.67
▸ RIPK2 O43353 1/20 0.67
▸ NR1I2 O75469 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
SCHEMBL4565371 0.91 KDR (0.85) EGFRKDREPHB4ERBB2FLT4
SCHEMBL4535987 0.90 KDR (0.78) EGFRKDREPHB4ERBB2FLT4
SCHEMBL9259 0.90 KDR (0.77) EGFRKDREPHB4ERBB2FLT4
SCHEMBL7805189 0.88 KDR (0.85) EGFRKDREPHB4ERBB2FLT4
SCHEMBL4359307 0.88 EPHA2 (0.85) EGFRKDREPHB4ERBB2FLT4
SCHEMBL2099106 0.86 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
SCHEMBL30505605 0.86 EGFR (1.00) EGFRKDREPHB4ERBB2FLT4
SCHEMBL4531303 0.86 KDR (0.72) EGFRKDREPHB4ERBB2FLT4
SCHEMBL1467981 0.85 EPHA2 (0.75) EGFRKDREPHB4FLT4EPHA2
Hydrochloric Acid SCHEMBL27887194 0.85 EGFR (0.98) EGFRKDREPHB4ERBB2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892799-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-22 — — EP claimed
EP-0892799-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1999-01-27 — — EP claimed
US-5770603-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-06-23 — — US claimed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 — — WO claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 — — WO disclosed
EP-0892799-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-22 — — EP disclosed
EP-0892799-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1999-01-27 — — EP disclosed
US-5770603-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-06-23 — — US disclosed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 — — WO disclosed
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