SCHEMBL14050842

SCHEMBL14050842

Cc1cc(Cl)nc2c(Br)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
CDK2 P24941 6/20 0.39
CHEK1 O14757 2/20 0.39
CCNA2 P20248 2/20 0.39
CCNA1 P78396 2/20 0.39
ALDH1A1 P00352 3/20 0.34
GBA1 P04062 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 2/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A1 P04798 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
HTR6 P50406 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7545686 0.81 KDM4E (0.57) GSK3BMEN1KMT2AKDM4ECDK2
SCHEMBL3319549 0.81 PDE10A (0.43) GSK3BMEN1KMT2AKDM4ECDK2
SCHEMBL11931303 0.79 CDK2 (0.56) GSK3BMEN1KMT2AKDM4ECDK2
SCHEMBL19201116 0.79 MEN1 (0.40) GSK3BMEN1KMT2ACDK2CHEK1
SCHEMBL17192159 0.78 GSK3B (0.39) GSK3BMEN1KMT2AKDM4ECDK2
SCHEMBL12953777 0.78 GSK3B (0.39) GSK3BMEN1KMT2ACDK2CHEK1
SCHEMBL17192160 0.78 GSK3B (0.39) GSK3BMEN1KMT2ACDK2CHEK1
SCHEMBL14543039 0.78 GSK3B (0.61) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL14050922 0.77 CDK2 (0.51) GSK3BMEN1KMT2AKDM4ECDK2
SCHEMBL14043374 0.76 GSK3B (0.50) GSK3BMEN1KMT2AKDM4ECDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 WO disclosed