SCHEMBL6574897

SCHEMBL6574897

CC(C)n1cnc2c(Nc3c[c]ccc3)nc(NC3CCC(O)CC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.59
CDK2 P24941 6/20 0.59
CCNE1 P24864 5/20 0.59
CCNE2 O96020 3/20 0.59
CCNA2 P20248 3/20 0.59
CCNA1 P78396 3/20 0.59
FLT3 P36888 1/20 0.58
CDK5 Q00535 2/20 0.54
CDK5R1 Q15078 2/20 0.54
CDK9 P50750 2/20 0.54
CCNT1 O60563 1/20 0.54
CDK7 P50613 1/20 0.54
CCNH P51946 1/20 0.54
CLK1 P49759 5/20 0.49
CLK2 P49760 5/20 0.49
CLK4 Q9HAZ1 5/20 0.49
CCNB1 P14635 2/20 0.49
CDK4 P11802 1/20 0.49
CCND3 P30281 1/20 0.49

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
SCHEMBL6574922 0.85 CDK1 (0.71) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL6574956 0.81 CDK1 (0.65) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL6775420 0.76 CCNE2 (0.63) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL6770758 0.76 CDK1 (0.56) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL25737311 0.76 CDK1 (0.71) CDK1CDK2CCNE1FLT3CDK5
SCHEMBL6770594 0.75 CDK1 (0.55) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL6576946 0.75 CCNE2 (0.60) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL21635686 0.74 CDK1 (0.69) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL21473890 0.74 CDK1 (0.69) CDK1CDK2CCNE1CCNE2CCNA2
SCHEMBL6775328 0.74 CDK1 (0.60) CDK1CDK2CCNE1CCNE2CCNA2

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
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed