SCHEMBL15224595

SCHEMBL15224595

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(N3CCCC4(CCCNC4)C3)nc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 12/20 0.59
CDK2 P24941 11/20 0.59
CDK9 P50750 6/20 0.59
CCNE1 P24864 6/20 0.59
CDK1 P06493 2/20 0.59
CCNH P51946 11/20 0.42
MNAT1 P51948 11/20 0.42
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CSNK1E P49674 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 0.97 CDK7 (0.59) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224625 0.95 CDK2 (0.61) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224582 0.93 CDK2 (0.58) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224679 0.93 CDK2 (0.56) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224714 0.91 CDK2 (0.58) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224511 0.91 CDK2 (0.56) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224730 0.89 CDK2 (0.59) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224926 0.88 CDK2 (0.58) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224845 0.88 CDK2 (0.58) CDK7CDK2CDK9CCNE1CDK1
SCHEMBL15224627 0.88 CDK2 (0.58) CDK7CDK2CDK9CCNE1CDK1

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