SCHEMBL10695889

SCHEMBL10695889

CCCOc1ccnc2nc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.48
CCNA2 P20248 4/20 0.48
CCNA1 P78396 4/20 0.48
CDK1 P06493 4/20 0.48
CCNB1 P14635 4/20 0.48
PDE5A O76074 2/20 0.47
BRD4 O60885 5/20 0.46
PIN1 Q13526 1/20 0.40
HTT P42858 4/20 0.40
MAP3K5 Q99683 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PAK1 Q13153 1/20 0.38
NCOA1 Q15788 1/20 0.38

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 0.86 BRD4 (0.47) CDK2CCNA2CCNA1BRD4HTT
SCHEMBL10695854 0.79 CDK2 (0.49) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL10697819 0.75 BRAF (0.41) BRD4HTTSMN1; SMN2PDPK1ALDH1A1
SCHEMBL3969724 0.75 BRD4 (0.45) BRD4PDPK1ALDH1A1LMNA
SCHEMBL11784078 0.73 PDE5A (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3960229 0.72 HTT (0.41) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL22966379 0.72 ALDH1A1 (0.47) CDK2BRD4HTTMAP3K5PAK1
SCHEMBL9094494 0.71 PDPK1 (0.64) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL2493987 0.69 BRD4 (0.51) CDK2BRD4PDPK1ALDH1A1LMNA
SCHEMBL2988049 0.67 NUDT1 (0.52) CDK2CCNA2CCNA1BRD4CCNT1

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