SCHEMBL9857535

SCHEMBL9857535

CCOP(=O)(COCC(CO)COn1cnc2c(N)nc(N)nc21)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
HPRT1 P00492 4/20 0.34
NT5E P21589 1/20 0.34
ABCB11 O95342 1/20 0.33
POLA1 P09884 1/20 0.33
POLG P54098 1/20 0.33
FAP Q12884 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
AHCY P23526 1/20 0.33
FGFR1 P11362 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
HSP90B1 P14625 1/20 0.32
ENPP1 P22413 1/20 0.32
HINT1 P49773 1/20 0.31

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
SCHEMBL9858011 0.87 SLC22A6 (0.43) ABCB11POLA1POLGFAPSLC22A6
SCHEMBL9684345 0.87 CDK1 (0.41) CDK1CCNB1CCNE1CDK2NT5E
SCHEMBL9858021 0.86 CDK1 (0.39) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL9417199 0.85 CDK1 (0.39) CDK1CCNB1CCNE1CDK2HPRT1
SCHEMBL9857660 0.84 HPRT1 (0.53) HPRT1
SCHEMBL9417208 0.83 CDK1 (0.43) CDK1CCNB1CCNE1CDK2NT5E
SCHEMBL9858125 0.81 CDK1 (0.41) CDK1CCNB1CCNE1CDK2NT5E
SCHEMBL9184996 0.81 CDK1 (0.49) CDK1CCNB1CCNE1CDK2NT5E
SCHEMBL9857620 0.78 HPRT1 (0.35) HPRT1
SCHEMBL9685345 0.78 CDK1 (0.40) CDK1CCNB1CCNE1CDK2HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US claimed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP claimed
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP disclosed