SCHEMBL8219558

SCHEMBL8219558

OCc1ccnc2[nH]c(CC3CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
GSK3A P49840 4/20 0.42
GSK3B P49841 4/20 0.42
CCNB3 Q8WWL7 4/20 0.42
UTS2R Q9UKP6 4/20 0.40
PBK Q96KB5 1/20 0.38
IDO1 P14902 3/20 0.36
RHEB Q15382 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
GCK P35557 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 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
SCHEMBL8214129 0.81 CCNB2 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8220461 0.79 KDM5B (0.46) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4047661 0.71 PBK (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8211462 0.69 PBK (0.74) PBK
SCHEMBL8211457 0.69 PBK (0.74) PBK
SCHEMBL27035255 0.68 CDK9 (0.42) PBKCACNA1GCACNA1H
SCHEMBL8218814 0.68 PBK (0.44) PBK
SCHEMBL7832083 0.67 KDM4E (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4048041 0.66 PBK (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4040136 0.66 AAK1 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B

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-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed