SCHEMBL7799233

SCHEMBL7799233

COc1cc2nc(N)nc(-c3ccccc3C)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.62
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
DHFR P00374 6/20 0.51
MAPT P10636 1/20 0.48
WHR1 P49842 1/20 0.48
HSP90AA1 P07900 2/20 0.46
PDPK1 O15530 1/20 0.45
EGFR P00533 1/20 0.45
HSP90AB1 P08238 1/20 0.45
ADORA1 P30542 1/20 0.44
ACHE P22303 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL7800422 0.85 ADORA2A (0.57) ADORA2AMEN1KMT2ADHFRMAPT
SCHEMBL7585771 0.85 ADORA2A (0.57) ADORA2AMEN1KMT2ADHFRMAPT
SCHEMBL7791033 0.85 ADORA2A (0.61) ADORA2AMEN1KMT2ADHFRMAPT
SCHEMBL7790971 0.85 ADORA2A (0.57) ADORA2AMEN1KMT2ADHFRWHR1
SCHEMBL7791023 0.85 ADORA2A (0.57) ADORA2AMEN1KMT2ADHFRWHR1
SCHEMBL7799250 0.82 ADORA2A (0.53) ADORA2ADHFRWHR1HSP90AA1EGFR
SCHEMBL30759714 0.81 WHR1 (0.71) ADORA2ADHFRWHR1EGFRADORA1
SCHEMBL1257435 0.81 WHR1 (0.71) ADORA2ADHFRWHR1EGFRADORA1
SCHEMBL7800398 0.81 ADORA2A (0.55) ADORA2AMEN1KMT2ADHFRMAPT
SCHEMBL7799239 0.80 ADORA2A (0.51) ADORA2AMEN1KMT2ADHFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162974-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
EP-1163228-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed
WO-2000056720-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed