SCHEMBL9850464

SCHEMBL9850464

CCC(C)Oc1nc(N)nc2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 1.00
CCNB1 P14635 18/20 1.00
CDK2 P24941 16/20 1.00
CCNA2 P20248 15/20 1.00
CCNA1 P78396 15/20 1.00
PIN1 Q13526 1/20 0.62
MGMT P16455 5/20 0.56
CCNT1 O60563 1/20 0.55
CDK7 P50613 1/20 0.55
CDK9 P50750 1/20 0.55
CCNH P51946 1/20 0.55

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
SCHEMBL9682498 0.85 CDK1 (1.00) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL7807591 0.82 CDK1 (0.78) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL8618498 0.80 CDK1 (0.77) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL30176198 0.80 CDK1 (0.77) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL10338837 0.78 CDK2 (0.63) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL8971208 0.78 CDK1 (1.00) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL9850458 0.77 CDK1 (0.63) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL7985300 0.77 CDK1 (1.00) CDK1CCNB1CDK2CCNA2CCNA1
Methylguanine SCHEMBL231097 0.77 CDK1 (0.69) CDK1CCNB1CDK2CCNA2CCNA1
Methylguanine SCHEMBL29903462 0.77 CDK1 (0.69) CDK1CCNB1CDK2CCNA2CCNA1

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
EP-0421819-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-04-10 EP disclosed