SCHEMBL4364048

SCHEMBL4364048

Fc1ccc(Nc2ncnc3cc(-c4ccoc4)ccc23)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
USP2 O75604 2/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
TSHR P16473 2/20 0.61
CYP2C19 P33261 2/20 0.61
KMT2A Q03164 2/20 0.61
CLK4 Q9HAZ1 2/20 0.61
HIF1A Q16665 1/20 0.61
EGFR P00533 13/20 0.61
FBP1 P09467 2/20 0.55
ERBB2 P04626 2/20 0.55
AURKB Q96GD4 2/20 0.55
AURKA O14965 1/20 0.55
INSR P06213 1/20 0.55
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55

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
SCHEMBL6186515 0.91 MEN1 (0.74) MEN1USP2ALDH1A1LMNACYP1A2
SCHEMBL4356776 0.82 EGFR (0.63) EGFRFBP1ERBB2AURKBAURKA
SCHEMBL4352896 0.80 EGFR (0.61) EGFRFBP1ERBB2AURKBAURKA
SCHEMBL28119911 0.78 EGFR (0.70) MEN1ALDH1A1LMNAKMT2AEGFR
SCHEMBL4364036 0.77 EGFR (0.60) EGFRFBP1ERBB2AURKBAURKA
SCHEMBL28403915 0.77 EGFR (0.74) EGFRFBP1ERBB2AURKBAURKA
Hydrochloric Acid SCHEMBL7486055 0.77 EGFR (0.69) MEN1ALDH1A1LMNAKMT2AEGFR
SCHEMBL30301821 0.76 EGFR (1.00) EGFRFBP1ERBB2AURKBAURKA
SCHEMBL1734685 0.76 EGFR (1.00) EGFRFBP1ERBB2AURKBAURKA
SCHEMBL6188954 0.75 EGFR (0.64) EGFRFBP1ERBB2AURKBAURKA

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-0880517-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-01-16 EP claimed
EP-0880517-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1998-12-02 EP claimed
WO-1997030044-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-21 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-0880517-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-01-16 EP disclosed
EP-0880517-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
US-5814630-A USEFUL AS RECEPTOR TYROSINE KINASE INHIBITORS IN THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-09-29 US disclosed
WO-1997030044-A1 QUINAZOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-21 WO disclosed