SCHEMBL8826249

SCHEMBL8826249

Nc1nc(OCC2CC2)c2nc[nH]c2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.56
CCNA2 P20248 16/20 0.56
CCNA1 P78396 12/20 0.56
CDK1 P06493 12/20 0.56
CCNB1 P14635 11/20 0.56
CCNB2 O95067 5/20 0.54
CCNB3 Q8WWL7 5/20 0.54
MAPK3 P27361 1/20 0.54
CLK1 P49759 1/20 0.54
CDK5 Q00535 1/20 0.54
PIN1 Q13526 1/20 0.54
MAP3K5 Q99683 1/20 0.54
MEN1 O00255 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL6266040 0.94 CDK2 (0.64) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL4402025 0.93 CDK2 (0.64) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL29385503 0.93 CDK2 (0.64) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6267556 0.86 CDK2 (0.67) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL8826284 0.80 CDK2 (0.51) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL30583141 0.79 IRAK4 (0.41) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL4556489 0.79 IRAK4 (0.41) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL7984872 0.79 CDK2 (0.42) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL8618497 0.78 CDK1 (0.44) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL21484455 0.77 CDK2 (0.36) CDK2CCNA2CCNA1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663154-A VIRICIDES, HIV, HEPATITIS GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
EP-0648218-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-19 EP disclosed
EP-0625158-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-23 EP disclosed
WO-1994001443-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 WO disclosed