SCHEMBL15224742

SCHEMBL15224742

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCC(N(C)C)CC3)nc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.58
CDK9 P50750 16/20 0.58
CCNE1 P24864 3/20 0.58
CDK7 P50613 2/20 0.58
CDK1 P06493 1/20 0.58
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNT1 O60563 2/20 0.38
CCNA2 P20248 2/20 0.38
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CCNH P51946 1/20 0.36

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
SCHEMBL23382167 0.91 CDK2 (0.61) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL15230936 0.90 CDK2 (0.60) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL15224519 0.90 CDK2 (0.59) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL23381949 0.88 CDK2 (0.58) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL15230439 0.87 CDK2 (0.58) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL23381927 0.87 CDK2 (0.64) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL23382194 0.86 CDK2 (0.61) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL23382175 0.85 CDK2 (0.55) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL15230913 0.84 CDK2 (0.59) CDK2CDK9CCNE1CDK7CDK1
SCHEMBL15224627 0.84 CDK2 (0.58) CDK2CDK9CCNE1CDK7CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567345-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2017-02-14 US claimed
EP-2820020-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN-DEPENDENT KINASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-04-06 EP claimed
EP-2820020-A1 PYRAZOLO - TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN- DEPENDENT KINASE INHINITORS Lead Discovery Center GmbH (DE) 2015-01-07 EP claimed
WO-2013128028-A1 PYRAZOLO - TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN- DEPENDENT KINASE INHINITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-09-06 WO claimed
EP-2634190-A1 Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhinitors Lead Discovery Center GmbH (DE) 2013-09-04 EP claimed
US-9567345-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2017-02-14 US disclosed
EP-2820020-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN-DEPENDENT KINASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-04-06 EP disclosed
WO-2013128028-A1 PYRAZOLO - TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN- DEPENDENT KINASE INHINITORS LEAD DISCOVERY CENTER GMBH (DE) 2013-09-06 WO disclosed
EP-2634190-A1 Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhinitors Lead Discovery Center GmbH (DE) 2013-09-04 EP disclosed
EP-2634190-A1 Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhinitors Lead Discovery Center GmbH (DE) 2013-09-04 EP disclosed