SCHEMBL1720873

SCHEMBL1720873

CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCCC3CCO)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.57
CDK5 Q00535 10/20 0.57
CCNE1 P24864 6/20 0.57
CDK9 P50750 10/20 0.50
CDK1 P06493 8/20 0.50
CDK12 Q9NYV4 7/20 0.50
CCNK O75909 6/20 0.50
CDK7 P50613 4/20 0.50
CCNT1 O60563 4/20 0.50
CCNA2 P20248 3/20 0.50
CDK5R1 Q15078 3/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
TAOK1 Q7L7X3 2/20 0.50
CLK1 P49759 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
CCNH P51946 2/20 0.50
MNAT1 P51948 2/20 0.50
CDK13 Q14004 2/20 0.50

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
SCHEMBL10322875 1.00 CDK2 (0.57) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL10378376 0.92 CDK2 (0.55) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL7886142 0.87 CDK2 (0.51) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL7894521 0.84 CDK2 (0.58) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL14194657 0.84 CDK2 (0.56) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL14194742 0.83 CDK2 (0.55) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL14194663 0.83 CDK2 (0.52) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL14194686 0.83 CDK2 (0.52) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL14194667 0.83 CDK2 (0.52) CDK2CDK5CCNE1CDK9CDK1
SCHEMBL14194670 0.83 CDK2 (0.54) CDK2CDK5CCNE1CDK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406263-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2012-01-18 EP disclosed
WO-2010103486-A1 PYRAZOLO[1,5-A]-1,3,5-TRIAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-09-16 WO disclosed