SCHEMBL9850458

SCHEMBL9850458

CCC(C)Oc1nc(N)nc2[nH]cnc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.63
CCNB1 P14635 16/20 0.63
CDK2 P24941 14/20 0.63
CCNA2 P20248 13/20 0.63
CCNA1 P78396 13/20 0.63
CCNT1 O60563 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
PIN1 Q13526 1/20 0.39
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
MCHR1 Q99705 1/20 0.36
MGMT P16455 2/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL9682496 0.85 CDK2 (0.59) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL7807580 0.82 CDK1 (0.46) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL21037386 0.81 CDK1 (0.41) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL8618497 0.80 CDK1 (0.44) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL10578846 0.79 CDK1 (0.43) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL8830293 0.78 CDK1 (0.60) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL9850464 0.77 CDK1 (1.00) CDK1CCNB1CDK2CCNA2CCNA1
Methylguanine SCHEMBL29968306 0.77 CDK1 (0.41) CDK1CCNB1CDK2CCNA2CCNA1
Methylguanine SCHEMBL1336757 0.77 CDK1 (0.41) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL880169 0.77 CDK1 (0.61) 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