SCHEMBL15224730

SCHEMBL15224730

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CC4(CNC4)C3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.59
CDK9 P50750 11/20 0.59
CDK7 P50613 6/20 0.59
CCNE1 P24864 3/20 0.59
CDK1 P06493 1/20 0.59
CDK5 Q00535 4/20 0.37
CDK5R1 Q15078 4/20 0.37
CCNT1 O60563 2/20 0.37
CCNA2 P20248 2/20 0.37
DYRK3 O43781 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CCNH P51946 5/20 0.37
MNAT1 P51948 4/20 0.36
CSNK1E P49674 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
SCHEMBL15224511 0.94 CDK2 (0.56) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224714 0.94 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224627 0.93 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224625 0.92 CDK2 (0.61) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224713 0.92 CDK2 (0.60) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224679 0.90 CDK2 (0.56) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224595 0.89 CDK7 (0.59) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224433 0.89 CDK7 (0.59) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224845 0.88 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224926 0.88 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1

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
EP-2820020-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN-DEPENDENT KINASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-04-06 EP 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