SCHEMBL3714290

SCHEMBL3714290

CC(O)C(O)CNc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.82
CCNA2 P20248 10/20 0.82
CCNA1 P78396 9/20 0.82
CDK9 P50750 8/20 0.82
CDK5 Q00535 8/20 0.82
DYRK1A Q13627 7/20 0.82
CCNT1 O60563 6/20 0.82
CDK5R1 Q15078 6/20 0.82
CSNK1A1 P48729 5/20 0.82
GSK3A P49840 1/20 0.82
GSK3B P49841 1/20 0.82
CCNE1 P24864 8/20 0.71
CDK1 P06493 6/20 0.71
CCNK O75909 2/20 0.71
CDK12 Q9NYV4 2/20 0.71
CDK4 P11802 2/20 0.71
CCNB1 P14635 2/20 0.71
CCND1 P24385 2/20 0.71
CDK7 P50613 2/20 0.71
CCNH P51946 2/20 0.71

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
SCHEMBL3718719 0.90 CDK2 (1.00) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL3718729 0.90 CDK2 (1.00) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL7889584 0.88 CDK2 (0.82) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL15372679 0.86 CDK2 (0.78) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL13001908 0.86 CDK2 (0.79) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL3768325 0.86 CDK2 (0.79) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL3768333 0.86 CDK2 (0.79) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL13811270 0.86 CDK2 (0.81) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL15940645 0.85 CDK2 (0.79) CDK2CCNA2CCNA1CDK9CDK5
SCHEMBL23683123 0.85 CDK5 (0.82) CDK2CCNA2CCNA1CDK9CDK5

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
WO-2010103473-A1 METHOD OF TREATMENT OF POLYCYSTIC DISEASES AND CHRONIC LYMPHOCYTIC LEUKEMIA CHU DE BREST (FR) 2010-09-16 WO disclosed