SCHEMBL7800633

SCHEMBL7800633

COc1cc2nc(N)nc(O)c2c(-c2ccccc2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.45
ADORA1 P30542 1/20 0.45
SLC10A2 Q12908 1/20 0.45
DHFR P00374 4/20 0.41
PDE4B Q07343 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.40
FYN P06241 1/20 0.40
DCPS Q96C86 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6766348 0.87 SLC10A2 (0.46) ADORA2AADORA1SLC10A2PDE4BPDE4A
SCHEMBL6772470 0.82 SLC10A2 (0.45) ADORA2AADORA1SLC10A2DHFRPDE4B
SCHEMBL7794611 0.80 ADORA2A (0.54) ADORA2AADORA1SLC10A2DHFR
SCHEMBL6765497 0.77 SLC10A2 (0.45) ADORA2AADORA1SLC10A2DHFRHSD17B10
SCHEMBL28041569 0.75 SLC10A2 (0.56) ADORA2AADORA1SLC10A2DHFRHSD17B10
SCHEMBL6767322 0.74 SLC10A2 (0.46) SLC10A2HSD17B10USP2POLBALDH1A1
SCHEMBL7015217 0.72 PDGFRB (0.46) SLC10A2HSD17B10ALDH1A1NPC1GAA
SCHEMBL13975516 0.70 DCPS (0.71) ADORA2ADHFRACHEALDH1A1DCPS
SCHEMBL27775603 0.70 SLC10A2 (0.46) ADORA2AADORA1SLC10A2DHFRHSD17B10
SCHEMBL5951260 0.70 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHSD17B10

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

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