SCHEMBL8976752

SCHEMBL8976752

c1ccc2c(Nc3ncnc4ccccc34)ncnc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.78
ABCG2 Q9UNQ0 5/20 0.78
DAPK3 O43293 1/20 0.78
MAP4K4 O95819 1/20 0.78
ABL1 P00519 1/20 0.78
ERBB2 P04626 1/20 0.78
PIM1 P11309 1/20 0.78
PRKACA P17612 1/20 0.78
LTK P29376 1/20 0.78
MAPK8 P45983 1/20 0.78
CSNK1A1 P48729 1/20 0.78
RPS6KA3 P51812 1/20 0.78
LIMK1 P53667 1/20 0.78
MAP2K1 Q02750 1/20 0.78
ACVR1 Q04771 1/20 0.78
TYRO3 Q06418 1/20 0.78
MAP4K2 Q12851 1/20 0.78
ROCK1 Q13464 1/20 0.78
DYRK1A Q13627 1/20 0.78
MAPK14 Q16539 1/20 0.78

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
SCHEMBL29941271 0.88 EGFR (1.00) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL8920 0.88 EGFR (1.00) EGFRABCG2DAPK3MAP4K4ABL1
Hydrochloric Acid SCHEMBL29394578 0.86 EGFR (0.96) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL6829578 0.86 EGFR (0.66) EGFRABCG2DAPK3MAP4K4ABL1
Hydrochloric Acid SCHEMBL20856873 0.86 EGFR (0.96) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL300638 0.84 EGFR (0.58) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL6823372 0.83 EGFR (0.77) EGFRABCG2DAPK3MAP4K4ABL1
Hydrochloric Acid SCHEMBL8808235 0.83 EGFR (0.90) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL5675946 0.83 EGFR (0.62) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL6831353 0.83 EGFR (0.62) EGFRABCG2DAPK3MAP4K4ABL1

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
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 US claimed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP claimed
EP-0700382-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-03-13 EP claimed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP claimed
US-5580870-A ANTICARCINOGENIC AGENTS ZENECA LIMITED (GB) 1996-12-03 US disclosed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP disclosed
EP-0700382-A1 NOVEL N-ARYLALIPHATIC-N-ALKYL-FUNCTIONALISED AMIDES, METHOD FOR THEIR PREPATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-03-13 EP disclosed
CN-1094043-A Quinazoline derivant ZENECA LTD (GB) 1994-10-26 CN disclosed
EP-0602851-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1994-06-22 EP disclosed