SCHEMBL3944585

SCHEMBL3944585

CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK7 P50613 18/20 1.00
CDK4 P11802 17/20 1.00
CCNE1 P24864 17/20 1.00
CCNH P51946 17/20 1.00
CDK1 P06493 16/20 1.00
CCND1 P24385 15/20 1.00
CCNB1 P14635 14/20 1.00
MAPK1 P28482 12/20 1.00
CDK9 P50750 6/20 0.87
CCNT1 O60563 4/20 0.84
MNAT1 P51948 1/20 0.84
CDK6 Q00534 1/20 0.84
CDK5 Q00535 1/20 0.84

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
SCHEMBL1379184 1.00 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL31060362 1.00 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL3855548 1.00 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL3298407 0.93 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL1376090 0.91 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL31061282 0.91 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL3858001 0.91 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL5072968 0.91 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL1378920 0.91 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH
SCHEMBL29829223 0.91 CDK2 (1.00) CDK2CDK7CDK4CCNE1CCNH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010533-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES Cyclacel Limited (GB) 2009-01-07 EP claimed
WO-2007110649-A2 PROCESS FOR THE PREPARATION OF 2,6,9-TRISUBSTITUTED PURINES CYCLACEL LIMITED (GB) 2007-10-04 WO claimed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP disclosed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO disclosed