SCHEMBL4359307

SCHEMBL4359307

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC1CCCO1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 12/20 0.85
KDR P35968 11/20 0.85
EPHB4 P54760 10/20 0.77
EGFR P00533 7/20 0.70
ERBB2 P04626 6/20 0.69
AURKA O14965 1/20 0.69
INSR P06213 1/20 0.69
FBP1 P09467 1/20 0.69
PDGFRB P09619 1/20 0.69
FLT4 P35916 1/20 0.69
CLK1 P49759 1/20 0.69
TEK Q02763 1/20 0.69
AURKB Q96GD4 1/20 0.69
RET P07949 1/20 0.69
KIF5B P33176 1/20 0.69

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
SCHEMBL906797 0.92 EPHA2 (1.00) EPHA2KDREPHB4EGFRERBB2
SCHEMBL9259 0.90 KDR (0.77) EPHA2KDREPHB4EGFRERBB2
SCHEMBL7221058 0.90 EPHA2 (0.70) EPHA2KDREPHB4EGFRFBP1
SCHEMBL7219862 0.90 EPHA2 (0.70) EPHA2KDREPHB4EGFRFBP1
SCHEMBL7221051 0.90 EPHA2 (0.70) EPHA2KDREPHB4EGFRFBP1
SCHEMBL6989639 0.90 EPHA2 (0.70) EPHA2KDREPHB4EGFRFBP1
SCHEMBL907202 0.90 EPHA2 (0.95) EPHA2KDREPHB4EGFRERBB2
Hydrochloric Acid SCHEMBL7219208 0.90 KDR (0.69) EPHA2KDREPHB4EGFRERBB2
SCHEMBL6991150 0.89 EPHA2 (0.69) EPHA2KDREPHB4EGFRERBB2
SCHEMBL7218842 0.89 EPHA2 (0.69) EPHA2KDREPHB4EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892799-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-22 EP claimed
US-5770603-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1998-06-23 US 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