SCHEMBL3721146

SCHEMBL3721146

CC(C)[C@H](CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 1.00
CCNB1 P14635 9/20 1.00
CDK2 P24941 9/20 1.00
CCNB2 O95067 6/20 1.00
CCNB3 Q8WWL7 6/20 1.00
CCNE1 P24864 5/20 0.72
CDK5 Q00535 7/20 0.67
RAB9A P51151 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
CLK1 P49759 1/20 0.67
CDK5R1 Q15078 1/20 0.67
CDK9 P50750 3/20 0.64
CDK7 P50613 4/20 0.63
CDK4 P11802 3/20 0.63
CCND1 P24385 3/20 0.63
CCNH P51946 3/20 0.63
MAPK1 P28482 2/20 0.63
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL1443682 1.00 CDK1 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL7526656 0.90 CDK1 (0.82) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL1443624 0.88 CDK1 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL3722504 0.88 CDK1 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL6016617 0.88 CDK1 (0.81) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL6016614 0.88 CDK1 (0.81) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL14587743 0.85 CDK1 (0.85) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL5827674 0.84 CDK2 (1.00) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL3444572 0.83 CDK1 (0.71) CDK1CCNB1CDK2CCNB2CCNB3
SCHEMBL4422862 0.82 CDK1 (0.81) CDK1CCNB1CDK2CCNB2CCNB3

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-2010121575-A1 OXALATO COMPLEXES OF PLATINUM Univerzita Palackého (CZ) 2010-10-28 WO disclosed