SCHEMBL5229203

SCHEMBL5229203

O=c1[nH]c2[nH]cnc2c2nccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 13/20 0.41
CDK2 P24941 13/20 0.41
CCNE2 O96020 4/20 0.39
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK9 P50750 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
PDE2A O00408 1/20 0.37
PDE6D O43924 1/20 0.37
PDE8A O60658 1/20 0.37
PDE5A O76074 1/20 0.37

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
SCHEMBL8486289 0.75 KDM4E (0.41) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8148622 0.73 PDE4A (0.32) PDE3BPDE3APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL5231288 0.72 ADORA2B (0.49) CCNE1CDK2CCNE2CCNT1CDK1
SCHEMBL21617342 0.69 PDE3B (0.58) CCNE1CDK2CCNE2PDE3BPDE3A
SCHEMBL8483161 0.68 ADORA2A (0.32) PDE3APDE4APDE4BPDE4CPDE4D
SCHEMBL2643830 0.67 XDH (0.41) CCNE1CDK2CCNE2CCNT1CDK1
SCHEMBL12241751 0.67 PDE3B (0.44) CCNE1CDK2CCNE2CCNT1CDK1
1-Methylxanthine SCHEMBL12037451 0.67 ADORA2A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL9240979 0.63 ADORA2A (0.58) PDE3APDE4APDE4BPDE4CPDE4D
SCHEMBL20195380 0.63 PDE3B (0.41) CCNE1CDK2CCNE2CCNT1CDK1

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-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 EP disclosed