SCHEMBL5840504

SCHEMBL5840504

CC[C@H](CO)Nc1nc(Nc2ccc(N)cc2)c2ncn(CC)c2n1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.62
CCNA2 P20248 13/20 0.62
CCNA1 P78396 13/20 0.62
CDK5 Q00535 12/20 0.62
CDK5R1 Q15078 12/20 0.62
DYRK1A Q13627 11/20 0.62
CCNE1 P24864 1/20 0.59
CDK1 P06493 4/20 0.57
CACNA1B Q00975 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
SRC P12931 1/20 0.53

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
SCHEMBL5840515 1.00 CDK2 (0.62) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5839099 0.91 CDK1 (0.70) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5839091 0.91 CDK1 (0.70) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5840307 0.89 CCNA2 (0.61) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5840318 0.89 CCNA2 (0.61) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5841668 0.83 CDK5 (0.78) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5841742 0.83 CDK1 (0.72) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL5841752 0.83 CDK1 (0.72) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL8706894 0.83 CDK5 (0.78) CDK2CCNA2CCNA1CDK5CDK5R1
SCHEMBL8710243 0.83 CDK5 (0.78) CDK2CCNA2CCNA1CDK5CDK5R1

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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed