SCHEMBL22129495

SCHEMBL22129495

COc1ccn2cc(N)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 8/20 0.52
TLR7 Q9NYK1 7/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 2/20 0.47
SUV39H2 Q9H5I1 3/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NCF1 P14598 1/20 0.41
METTL3 Q86U44 2/20 0.40
PIK3CG P48736 1/20 0.40
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL7975599 0.81 KDM4E (0.51) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL29373485 0.79 TLR9 (0.47) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL31000102 0.79 NPC1 (0.47) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL753696 0.79 NPC1 (0.47) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL22529077 0.79 METTL3 (0.47) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL13050350 0.77 TLR9 (0.46) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL13080337 0.77 METTL3 (0.49) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL29373194 0.76 NPC1 (0.47) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL22129373 0.75 PIK3CG (0.55) TLR9TLR7NPC1RAB9AKDM4E
SCHEMBL7268498 0.74 PTGS1 (0.54) TLR9TLR7NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349093-B 5, 6-bicyclic compounds as WNT signal pathway inhibitors and medical application thereof 汇瀚医疗科技有限公司 2021-07-02 CN disclosed
CN-111349093-A 5, 6-bicyclic compounds as WNT signal pathway inhibitors and medical application thereof 汇瀚医疗科技有限公司 2020-06-30 CN disclosed
WO-2020125759-A1 COMPOUND AS WNT SIGNAL PATHWAY INHIBITOR AND MEDICAL USE THEREOF 汇瀚医疗科技有限公司 2020-06-25 WO disclosed