SCHEMBL15224627

SCHEMBL15224627

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCC4(CC3)CNC4)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.58
CDK9 P50750 9/20 0.58
CDK7 P50613 8/20 0.58
CCNE1 P24864 3/20 0.58
CDK1 P06493 1/20 0.58
CCNH P51946 7/20 0.38
MNAT1 P51948 6/20 0.38
CSNK1E P49674 1/20 0.37
HCRTR2 O43614 1/20 0.36
CDK5 Q00535 3/20 0.36
CDK5R1 Q15078 3/20 0.36
CCNT1 O60563 2/20 0.36
CCNA2 P20248 2/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 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 0.96 CDK2 (0.56) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224845 0.95 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224924 0.94 CDK2 (0.59) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224730 0.93 CDK2 (0.59) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224679 0.93 CDK2 (0.56) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224433 0.91 CDK7 (0.59) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224926 0.91 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL23381927 0.90 CDK2 (0.64) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224714 0.90 CDK2 (0.58) CDK2CDK9CDK7CCNE1CDK1
SCHEMBL15224851 0.90 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 11 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
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