SCHEMBL15619030

SCHEMBL15619030

COc1ccc(CNc2nc(Cl)nc3c(NCc4ccc(OC)cc4)nc(Cl)nc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.68
CCNE1 P24864 1/20 0.68
CDK2 P24941 1/20 0.68
PRUNE1 Q86TP1 1/20 0.58
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CDK1 P06493 1/20 0.49
PIK3CA P42336 1/20 0.49
PDE5A O76074 1/20 0.49
APP P05067 1/20 0.49
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
EGFR P00533 1/20 0.48
POLB P06746 1/20 0.48
NR2F2 P24468 1/20 0.48

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
SCHEMBL3108534 0.84 CCNE2 (0.61) CCNE2CCNE1CDK2PRUNE1HTT
SCHEMBL3114875 0.84 CCNE2 (0.55) CCNE2CCNE1CDK2HTTPDE5A
SCHEMBL3108353 0.83 CCNE2 (0.54) CCNE2CCNE1CDK2HTTPIK3CA
SCHEMBL2801822 0.82 PIK3CA (0.66) CCNE2CCNE1CDK2PIK3CAAPP
SCHEMBL5888965 0.82 PIK3CA (0.62) CCNE2CCNE1CDK2PIK3CAAPP
SCHEMBL7973136 0.82 CCNE2 (0.58) CCNE2CCNE1CDK2CDK1PDE5A
SCHEMBL22411468 0.81 CCNE2 (0.52) CCNE2CCNE1CDK2PRUNE1HTT
SCHEMBL30747798 0.81 CCNE2 (0.77) CCNE2CCNE1CDK2TDP1CDK1
SCHEMBL27249486 0.81 CCNE2 (0.77) CCNE2CCNE1CDK2TDP1CDK1
SCHEMBL29019899 0.81 CCNE2 (0.57) CCNE2CCNE1CDK2HTTPDE5A

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
WO-2014045310-A1 PYRIMIDO[5,4-D]PYRIMIDINE OR PYRIMIDINE DERIVATIVES COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER ZOLLO MASSIMO (IT) 2014-03-27 WO disclosed
WO-2014045310-A1 PYRIMIDO[5,4-D]PYRIMIDINE OR PYRIMIDINE DERIVATIVES COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER ZOLLO MASSIMO (IT) 2014-03-27 WO disclosed