SCHEMBL27335385

SCHEMBL27335385

CC(c1ccsc1)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ GDA Q9Y2T3 1/20 0.35
▸ CDK1 P06493 4/20 0.34
▸ CCNB1 P14635 4/20 0.34
▸ CCNA2 P20248 4/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CCNA1 P78396 4/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CD O00329 3/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL6952184 0.83 SLC2A1 (0.41) PNPPDPK1GDACDK1CCNB1
SCHEMBL6811648 0.81 KDM5B (0.33) KDM5B
SCHEMBL17186408 0.79 MGMT (0.40) PNPHRH4PDPK1GDACDK1
SCHEMBL2385930 0.78 ADORA2B (0.50) PNPHRH4PDPK1GDACDK1
Hydrochloric Acid SCHEMBL18605989 0.78 MGMT (0.40) PNPHRH4PDPK1GDACDK1
SCHEMBL9806974 0.77 PNP (0.44) PNPHRH4PDPK1GDACDK1
SCHEMBL441798 0.76 DPP4 (0.44) PNPHRH4PDPK1GDACDK1
SCHEMBL6751932 0.76 PNP (0.43) PNPPDPK1GDACDK1CCNB1
SCHEMBL17186452 0.75 OGA (0.45) CDK2PIK3CGPIK3CAMTOR
Hydrochloric Acid SCHEMBL18605857 0.74 OGA (0.44) CDK2PIK3CGPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1048493-C 06-substituted guanine derivatives, a process for their prepn. and their use CANCER RES CAMPAIGN TECH (GB) 2000-01-19 — — CN disclosed
CN-1145622-A O 6Substituted guanine derivatives, process for their preparation and their use CANCER RES CAMPAIGN TECH (GB) 1997-03-19 — — CN disclosed
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