SCHEMBL30849544

SCHEMBL30849544

[2H]c1ncnc2[nH]cc(-c3cccs3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.53
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
CHEK1 O14757 1/20 0.35
TDO2 P48775 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
RPS6KA5 O75582 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL16968469 0.85 CDK8 (0.59) CDK8STK4STK3JAK2JAK1
SCHEMBL857022 0.76 CDK8 (0.58) CDK8STK3PIM1RPS6KA5GSK3B
SCHEMBL30124898 0.71 STK4 (0.61) CDK8STK4STK3JAK2JAK1
SCHEMBL12764139 0.69 CDK8 (0.85) CDK8NTRK1PIK3CA
SCHEMBL27094478 0.69 CDK8 (0.53) CDK8STK4STK3CHEK1TDO2
SCHEMBL8316949 0.67 CDK8 (0.67) CDK8NTRK1PIK3CA
SCHEMBL8256242 0.65 CDK8 (0.72) CDK8NTRK1PIK3CA
SCHEMBL13651106 0.65 CDK8 (0.76) CDK8STK3CHEK1PIM1PIM3
SCHEMBL223072 0.65 HSD17B10 (0.51) CDK8TDO2PIM1RAB9AATM
SCHEMBL25198274 0.65 CDK8 (0.49) CDK8STK4STK3JAK2JAK1

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-117460736-A Nucleoside derivatives having multi-target phosphorylase inhibitory activity and pharmaceutical compositions for preventing and treating cancer comprising the same 未来制药有限公司 2024-01-26 CN disclosed