SCHEMBL21782435

SCHEMBL21782435

CNc1nc(N)nc2c1ncn2C(O)C(O)C(CCOOC)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.44
CDK2 P24941 3/20 0.44
PRKACA P17612 1/20 0.44
CCNA2 P20248 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
CCNA1 P78396 1/20 0.44
ADORA3 P0DMS8 6/20 0.40
ADORA1 P30542 6/20 0.40
ADORA2B P29275 4/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
CDC20 Q12834 1/20 0.35
CCNB1 P14635 2/20 0.34
CCNE1 P24864 2/20 0.34
NR1I2 O75469 1/20 0.33
ALB P02768 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
SCHEMBL21782407 0.85 CCNB2 (0.42) CDK1ADORA3ADORA1CCNB1
SCHEMBL22224567 0.76 CDK2 (0.44) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21082387 0.75 CCNB2 (0.34) CDK1ADORA1ADORA2BCCNB1PDE4D
SCHEMBL21082443 0.74 HPRT1 (0.42)
SCHEMBL21082477 0.73
SCHEMBL24829641 0.73 CDK1 (0.53) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21082621 0.72 CCNB2 (0.41) CDK1CDK2ADORA1CCNB1PDE4D
SCHEMBL9582893 0.71 CDK1 (0.45) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL19049976 0.71 HSP90AB1 (0.42) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL24707517 0.70 CDK2 (0.67) CDK1CDK2PRKACACCNA2PRKACG

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
EP-3682905-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2021-12-01 EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 EP disclosed