SCHEMBL31425504

SCHEMBL31425504

Cn1cnc(=O)c2ccc(Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.37
YTHDC1 Q96MU7 1/20 0.35
MAT2A P31153 1/20 0.34
TNKS O95271 1/20 0.33
KDM4E B2RXH2 2/20 0.32
IDO1 P14902 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
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
GDA Q9Y2T3 1/20 0.32
NR2E1 Q9Y466 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
SCHEMBL31425543 0.83 DYRK1A (0.39) CDK1KDM4EPIK3CDPOLBADORA3
SCHEMBL30168571 0.74 DYRK1A (0.50) CDK1YTHDC1ADORA2AADORA1
SCHEMBL6770226 0.74 DYRK1A (0.50) CDK1YTHDC1ADORA2AADORA1
SCHEMBL19153190 0.71 KDM4E (0.54) TNKSKDM4EACHEHPGDKMT2A
SCHEMBL26631307 0.71 MAT2A (0.33) MAT2AIDO1
SCHEMBL30503542 0.71 MAT2A (0.33) MAT2AIDO1
SCHEMBL19152630 0.70 KDM4E (0.39) KDM4EPIK3CDPOLBADORA3CNR1
SCHEMBL30503533 0.69 MAT2A (0.34) MAT2AKDM4EIDO1POLB
SCHEMBL12889638 0.69 MAT2A (0.34) MAT2AKDM4EIDO1POLB
SCHEMBL21589013 0.68 HASPIN (0.37) MAT2AIDO1

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