SCHEMBL5840729

SCHEMBL5840729

CCC(CO)Nc1nc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncn(CC)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 12/20 0.54
CDK2 P24941 12/20 0.54
CCNA1 P78396 11/20 0.54
CDK5 Q00535 11/20 0.54
CDK5R1 Q15078 11/20 0.54
DYRK1A Q13627 9/20 0.54
CDK1 P06493 8/20 0.54
PRKCA P17252 2/20 0.54
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CACNA1B Q00975 1/20 0.50
CCNT1 O60563 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNE1 P24864 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48

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
SCHEMBL5840725 1.00 CCNA2 (0.54) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5839860 0.91 CDK1 (0.67) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5839851 0.91 CDK1 (0.67) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5840318 0.90 CCNA2 (0.61) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5840307 0.90 CCNA2 (0.61) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5839099 0.84 CDK1 (0.70) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5839091 0.84 CDK1 (0.70) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5839936 0.83 CDK5 (0.56) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5839952 0.83 CDK5 (0.56) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL5840504 0.83 CDK2 (0.62) CCNA2CDK2CCNA1CDK5CDK5R1

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