SCHEMBL7889584

SCHEMBL7889584

CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCO)nc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.82
CCNA2 P20248 11/20 0.82
CCNA1 P78396 10/20 0.82
CDK5 Q00535 8/20 0.82
DYRK1A Q13627 7/20 0.82
CDK9 P50750 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 0.79
GSK3B P49841 1/20 0.79
CDK1 P06493 4/20 0.77
CSNK1D P48730 1/20 0.77
CLK2 P49760 1/20 0.77
HIPK4 Q8NE63 1/20 0.77
SRPK1 Q96SB4 1/20 0.77
CLK4 Q9HAZ1 1/20 0.77
CCNE1 P24864 10/20 0.75
CCNB1 P14635 3/20 0.75
CCNK O75909 2/20 0.75

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
SCHEMBL15940645 0.94 CDK2 (0.79) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL15372679 0.92 CDK2 (0.78) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL3718729 0.89 CDK2 (1.00) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL3718719 0.89 CDK2 (1.00) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL23683123 0.88 CDK5 (0.82) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL3690866 0.88 CDK2 (0.92) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL3714290 0.88 CDK2 (0.82) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL1216905 0.88 CDK1 (1.00) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL13001904 0.87 CDK2 (0.80) CDK2CCNA2CCNA1CDK5DYRK1A
SCHEMBL9927174 0.86 CDK2 (1.00) CDK2CCNA2CCNA1CDK5DYRK1A

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