SCHEMBL4272902

SCHEMBL4272902

COc1ccc(CNc2nc(N(CCO)C(C)C)nc3c2ncn3C(C)C)cc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 12/20 0.84
CCNE1 P24864 12/20 0.84
CDK2 P24941 12/20 0.84
CDK1 P06493 5/20 0.84
CDK5 Q00535 4/20 0.84
CDK5R1 Q15078 3/20 0.84
CCNB1 P14635 2/20 0.84
CCNT1 O60563 1/20 0.84
PDE5A O76074 1/20 0.84
CCNA2 P20248 1/20 0.84
CDK7 P50613 1/20 0.84
CDK9 P50750 1/20 0.84
CCNH P51946 1/20 0.84
MNAT1 P51948 1/20 0.84
PDE4D Q08499 1/20 0.84
PDE10A Q9Y233 1/20 0.84
TDP1 Q9NUW8 1/20 0.68
CCNB2 O95067 1/20 0.61
CCNB3 Q8WWL7 1/20 0.61

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
SCHEMBL1394958 0.91 CCNE2 (1.00) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL1394954 0.86 CCNE1 (0.77) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL3686041 0.86 CCNE2 (0.77) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL7702451 0.85 CDK2 (0.64) CCNE2CCNE1CDK2CDK1CDK5
Myoseverin SCHEMBL13325947 0.82 TDP1 (1.00) CCNE2CCNE1CDK2CDK1CDK5
Myoseverin SCHEMBL29376276 0.82 TDP1 (1.00) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL14071580 0.81 CDK2 (0.85) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL5466712 0.81 CCNE1 (0.70) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL1443236 0.80 TDP1 (0.80) CCNE2CCNE1CDK2CDK1CDK5
SCHEMBL6143053 0.80 CDK2 (1.00) CCNE2CCNE1CDK2CDK1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325931-A1 USE OF CDK INHIBITORS FOR THE TREATMENT OF GRANULOCYTE MEDIATED DISORDERS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2009-12-31 US disclosed
EP-2061446-A2 USE OF CDK INHIBITORS FOR THE TREATMENT OF GRANULOCYTE MEDIATED DISORDERS University Court of the University of Edinburgh (GB) 2009-05-27 EP disclosed
WO-2008012563-A2 USE OF CDK INHIBITORS FOR THE TREATMENT OF GRANULOCYTE MEDIATED DISORDERS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2008-01-31 WO disclosed