SCHEMBL5499552

SCHEMBL5499552

COc1cc2c(Oc3ccc(F)cc3Br)ncnc2cc1N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.54
KDR P35968 5/20 0.47
EGFR P00533 3/20 0.47
ACHE P22303 4/20 0.47
BACE1 P56817 4/20 0.47
CSF1R P07333 3/20 0.47
AURKA O14965 2/20 0.43
PDGFRB P09619 2/20 0.43
FLT4 P35916 2/20 0.43
TEK Q02763 2/20 0.43
AURKB Q96GD4 2/20 0.43
MET P08581 2/20 0.42
KIT P10721 2/20 0.42
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
ERN1 O75460 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 1/20 0.42

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
SCHEMBL4417714 0.85 TRPA1 (0.47) TRPA1KDREGFRACHEBACE1
SCHEMBL4424010 0.85 TRPA1 (0.46) TRPA1KDREGFRCSF1RPDGFRB
SCHEMBL4419529 0.84 KDR (0.60) TRPA1KDREGFRCSF1RAURKA
SCHEMBL4424919 0.80 KDR (0.60) TRPA1KDREGFRCSF1RAURKA
SCHEMBL4420738 0.79 KDR (0.66) TRPA1KDREGFRCSF1RAURKA
SCHEMBL4419758 0.79 TRPA1 (0.62) TRPA1KDREGFRMETLCK
SCHEMBL4421705 0.78 EGFR (0.55) TRPA1KDREGFRCSF1RPDGFRB
SCHEMBL4427782 0.77 KDR (0.45) TRPA1KDREGFRCSF1RAURKA
SCHEMBL4421864 0.77 SRC (0.59) KDREGFRBACE1CSF1RPDGFRB
SCHEMBL4426069 0.76 TRPA1 (0.51) TRPA1KDREGFRCSF1RPDGFRB

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 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-1272185-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2003-01-08 EP 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-2001066099-A2 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed