SCHEMBL5498285

SCHEMBL5498285

COc1cc2c(NC(=O)Nc3c(F)cccc3F)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.70
EGFR P00533 10/20 0.68
KDR P35968 10/20 0.68
RET P07949 4/20 0.68
KIF5B P33176 1/20 0.68
SRC P12931 6/20 0.64
AURKA O14965 3/20 0.64
LCK P06239 2/20 0.64
MET P08581 2/20 0.64
MAPT P10636 2/20 0.64
LTK P29376 2/20 0.64
TNK2 Q07912 2/20 0.64
MAP4K5 Q9Y4K4 2/20 0.64
AURKB Q96GD4 2/20 0.64
ROCK2 O75116 1/20 0.64
ALDH1A1 P00352 1/20 0.64
FYN P06241 1/20 0.64
PDGFRA P16234 1/20 0.64
TTK P33981 1/20 0.64
MAP2K2 P36507 1/20 0.64

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
SCHEMBL5496174 0.92 EGFR (0.69) BRAFEGFRKDRRETKIF5B
SCHEMBL4421074 0.88 KDR (0.57) BRAFEGFRKDRRETKIF5B
SCHEMBL12694370 0.84 EGFR (0.85) BRAFEGFRKDRRETSRC
SCHEMBL5500589 0.83 AURKA (0.54) BRAFEGFRKDRRETKIF5B
SCHEMBL4687801 0.83 RET (0.66) EGFRKDRRETKIF5BSRC
SCHEMBL5496725 0.83 KDR (0.62) BRAFEGFRKDRRETKIF5B
SCHEMBL5500057 0.83 EGFR (0.71) BRAFEGFRKDRRETKIF5B
SCHEMBL12694406 0.82 BRAF (1.00) BRAFEGFRKDRRETSRC
SCHEMBL27817044 0.82 AURKA (0.83) BRAFEGFRKDRRETKIF5B
SCHEMBL4689817 0.81 SRC (0.64) BRAFEGFRKDRRETKIF5B

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-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP claimed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US claimed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed