SCHEMBL31425543

SCHEMBL31425543

Cn1cnc(=O)c2ccc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.39
CDK1 P06493 3/20 0.37
ADORA1 P30542 4/20 0.36
ADORA2A P29274 3/20 0.36
PDE4A P27815 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2B P29275 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIRT3 Q9NTG7 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
SCHEMBL31425504 0.83 CDK1 (0.37) CDK1ADORA1ADORA2AKDM4EPIK3CD
SCHEMBL21895452 0.72 L3MBTL1 (0.38) DYRK1AADORA1ADORA2AKDM4ESYK
SCHEMBL19153190 0.71 KDM4E (0.54) DYRK1APDE4ACDK2KDM4EACHE
SCHEMBL19152630 0.70 KDM4E (0.39) ADORA1ADORA2APDE4AKDM4EPIK3CD
SCHEMBL12889714 0.69 NOS3 (0.42) ADORA1ADORA2ABACE1KDM4E
SCHEMBL29922141 0.69 DDB1 (0.39) DYRK1AKDM4E
SCHEMBL9037765 0.68 RXFP1 (0.50) ADORA1ADORA2APDE4AKDM4EPIK3CD
SCHEMBL30060872 0.67 KDM4E (0.42) ADORA1ADORA2APDE4AKDM4E
SCHEMBL11591420 0.66 KDM4E (0.46) ADORA1ADORA2APDE4ABACE1KDM4E
SCHEMBL29021486 0.66 DYRK1A (0.43) DYRK1AKDM4ESYK

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-119562953-A Compound with kinase inhibition function and preparation and application thereof 上海轶诺药业有限公司 2025-03-04 CN disclosed