SCHEMBL15224679

SCHEMBL15224679

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCC4(CCNC4)C3)nc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.56
CDK7 P50613 11/20 0.56
CCNE1 P24864 8/20 0.56
CDK9 P50750 6/20 0.56
CDK1 P06493 2/20 0.56
CCNH P51946 10/20 0.40
MNAT1 P51948 10/20 0.40
CSNK1E P49674 1/20 0.35
KHK P50053 1/20 0.35

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
SCHEMBL15224433 0.96 CDK7 (0.59) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224926 0.96 CDK2 (0.58) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224845 0.96 CDK2 (0.58) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224511 0.95 CDK2 (0.56) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224714 0.95 CDK2 (0.58) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224595 0.93 CDK7 (0.59) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224924 0.93 CDK2 (0.59) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224627 0.93 CDK2 (0.58) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224713 0.92 CDK2 (0.60) CDK2CDK7CCNE1CDK9CDK1
SCHEMBL15224582 0.91 CDK2 (0.58) CDK2CDK7CCNE1CDK9CDK1

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