SCHEMBL9776702

SCHEMBL9776702

COc1ccccc1Nc1nc(N)nc2c(OC)cccc12

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.50
DHFR P00374 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL9776669 0.91
Hydrochloric Acid SCHEMBL3118577 0.90
Hydrochloric Acid SCHEMBL9776791 0.87
SCHEMBL9776713 0.83 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL15858029 0.82 ADORA2A (0.48) MAPTMEN1KMT2AKDM4E
SCHEMBL9776864 0.81 GAA (0.45) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL10480698 0.81 SLC2A1 (0.59) LMNANPC1RAB9A
SCHEMBL9776753 0.77 VCP (0.65) MEN1KMT2ALMNA
SCHEMBL9508885 0.76 SLC2A1 (0.57)
SCHEMBL15858035 0.76 DCPS (0.56) TDP1DHFR

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
US-5064833-A Substituted quinazoline derivatives for use in gastrointestinal diseases SMITHKLINE BEECHAM INTERCREDIT B.V. (GB) 1991-11-12 US disclosed
EP-0322133-B1 QUINAZOLINE DERIVATIVES SmithKline Beecham Intercredit B.V. (NL) 1991-05-22 EP disclosed
EP-0322133-A1 Quinazoline derivatives SmithKline Beecham Intercredit B.V. (NL) 1989-06-28 EP disclosed
WO-1989005297-A1 COMPOUNDS SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-06-15 WO disclosed