SCHEMBL10695854

SCHEMBL10695854

CC(C)COc1ccnc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.49
CDK1 P06493 5/20 0.49
CCNB1 P14635 5/20 0.49
CCNA2 P20248 5/20 0.49
CCNA1 P78396 5/20 0.49
BRD4 O60885 2/20 0.43
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDPK1 O15530 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 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
SCHEMBL10696476 0.81 BRD4 (0.47) CDK2CCNA2CCNA1BRD4PDPK1
SCHEMBL10695889 0.79 CDK2 (0.48) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL10697819 0.74 BRAF (0.41) BRD4PDPK1ALDH1A1GAALMNA
SCHEMBL3969724 0.74 BRD4 (0.45) BRD4PDPK1ALDH1A1LMNACYP3A4
SCHEMBL10441257 0.70 BRD4 (0.42) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL8691506 0.69 BRD4 (0.38) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL22966379 0.67 ALDH1A1 (0.47) CDK2BRD4PDPK1ALDH1A1LMNA
SCHEMBL3960229 0.65 HTT (0.41) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL4069873 0.65 ALDH1A1 (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7108989 0.64 PI4KA (0.50) CDK2BRD4PDPK1ALDH1A1LMNA

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
EP-0254588-A1 Imidazo[4,5-b] pyridine compounds, process for preparing same and pharmaceutical compositions containing same TOKYO TANABE COMPANY LIMITED (JP) 1988-01-27 EP claimed