SCHEMBL28795462

SCHEMBL28795462

N#Cc1cc(N)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
ADORA1 P30542 7/20 0.35
ADORA2A P29274 5/20 0.35
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
ADORA2B P29275 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
PABPC1 P11940 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CDC7 O00311 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10692686 0.77 POLB (0.49) KDM4EMAPTGAAHRH3NPC1
SCHEMBL22389992 0.77 KDM4E (0.45) ADORA1ADORA2AKDM4EMAPTGAA
SCHEMBL25778174 0.74 L3MBTL1 (0.40) KDM4EMAPTGAAHRH4L3MBTL1
SCHEMBL29745979 0.73 MBOAT4 (0.40) DYRK1AADORA1ADORA2AKDM4EMAPT
SCHEMBL21355701 0.73 MBOAT4 (0.40) DYRK1AADORA1ADORA2AKDM4EMAPT
SCHEMBL18517543 0.73 NOS2 (0.53)
SCHEMBL3508940 0.73 ADORA1 (0.47) DYRK1AADORA1ADORA2AKDM4EMAPT
SCHEMBL22389971 0.73 L3MBTL1 (0.39) KDM4EGAAL3MBTL1MEN1NPC1
SCHEMBL96485 0.73
SCHEMBL28928746 0.72 USP2 (0.39) KDM4EMAPTGAAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805805-A Polyimide with high bonding strength and preparation method and application thereof 中国科学院深圳先进技术研究院 2022-07-29 CN claimed