SCHEMBL7209947

SCHEMBL7209947

CC(C)(C)OC(=O)Nc1c(F)cc(Cl)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
APP P05067 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP17A1 P05093 1/20 0.38
SYK P43405 1/20 0.38
HTT P42858 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LCK P06239 2/20 0.37
RIPK3 Q9Y572 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL13776174 0.90 ATR (0.44) ATRAPPS1PR3CYP17A1SYK
SCHEMBL14146034 0.90 ATR (0.41) ATRAPPS1PR3CYP17A1SYK
SCHEMBL17616118 0.87 ATR (0.42) ATRAPPS1PR3CYP17A1SYK
SCHEMBL25793113 0.85 SYK (0.44) ATRCYP17A1SYKLCKGAA
SCHEMBL28203044 0.83 SYK (0.40) ATRCYP17A1SYKLCKCA12
SCHEMBL22314427 0.83 LCK (0.45) ATRCYP17A1SYKHTTLCK
SCHEMBL26429672 0.81 ATR (0.41) ATRCYP17A1SYKLCKNPC1
SCHEMBL30937702 0.80 CYP17A1 (0.40) ATRAPPS1PR3CYP17A1HTT
SCHEMBL24456033 0.80 ATR (0.46) ATRS1PR3CYP17A1SYKHTT
SCHEMBL17616117 0.80 KMT2A (0.52) CYP17A1HTTHSP90AA1HSP90AB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1125817-C Quinazoline derivatives as VEGF inhibitors ZENECA LTD (GB) 2003-10-29 CN disclosed
EP-0880508-B1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
US-6184225-B1 ENDOTHELIAL GROWTH FACTOR INHIBITORS, ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2001-02-06 US disclosed
CN-1211239-A Quinazoline derivatives as VEGF inhibitors ZENECA LTD (GB) 1999-03-17 CN disclosed
EP-0880508-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997030035-A1 QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS ZENECA LIMITED (GB) 1997-08-21 WO disclosed