SCHEMBL8214129

SCHEMBL8214129

Cc1ccnc2[nH]c(CC3CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 4/20 0.40
CDK1 P06493 4/20 0.40
CCNB1 P14635 4/20 0.40
GSK3A P49840 4/20 0.40
GSK3B P49841 4/20 0.40
CCNB3 Q8WWL7 4/20 0.40
PDE9A O76083 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
UTS2R Q9UKP6 3/20 0.38
CACNA1H O95180 1/20 0.37
IDO1 P14902 3/20 0.37
PBK Q96KB5 1/20 0.36
PARP14 Q460N5 3/20 0.35
AAK1 Q2M2I8 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
SCHEMBL8219558 0.81 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4370028 0.79 ADORA1 (0.41) CDK1GSK3AGSK3BPARP14
SCHEMBL7832083 0.78 KDM4E (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL28836229 0.78 CCR1 (0.34) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8220461 0.77 KDM5B (0.46) CCNB2CDK1CCNB1GSK3AGSK3B
Hydrochloric Acid SCHEMBL28836198 0.76 CYP1A2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL4370037 0.76 NOS2 (0.41) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL21087641 0.76 ADRB2 (0.38)
SCHEMBL13908156 0.75 LMNA (0.60) PDE9ALMNAKMT2ACACNA1HIDO1
SCHEMBL3950341 0.75 GSK3B (0.38) 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 1 patent. 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