SCHEMBL8113289

SCHEMBL8113289

CCC(C)n1cnc2c(N)nc3c(c21)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA2B P29275 3/20 0.46
ADORA1 P30542 3/20 0.46
CDK1 P06493 3/20 0.37
CDK2 P24941 3/20 0.37
CCNB1 P14635 2/20 0.37
CCNE1 P24864 2/20 0.37
KCNH2 Q12809 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
NUDT1 P36639 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4D Q08499 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL5139514 0.79 NOS3 (0.33) CDK1CDK2CCNB1CCNE1KCNH2
SCHEMBL2059204 0.78 TLR7 (0.53) ADORA2AADORA1CDK1CDK2CCNB1
SCHEMBL8113726 0.77 TLR7 (0.52) ADORA2AADORA1CDK1CDK2CCNB1
SCHEMBL13921708 0.76 CDK1 (0.41) ADORA2AADORA1CDK1POLBNOS3
SCHEMBL8121668 0.74 ADORA2A (0.46) ADORA2AADORA2BADORA1CDK1CDK2
SCHEMBL9049222 0.74 ADORA2A (0.41) ADORA2AADORA1CDK1CDK2CCNB1
SCHEMBL6031765 0.74 ACHE (0.39) KCNH2NOS3NOS1NOS2KDM4E
SCHEMBL13533454 0.73 TLR7 (0.63) ADORA2AADORA2BADORA1KCNH2LMNA
SCHEMBL7006782 0.71 TLR7 (0.55) ADORA2ACDK1CDK2CCNB1CCNE1
SCHEMBL8114300 0.70 CSNK2A2 (0.43) ADORA2AADORA2BCDK1CDK2CCNB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP claimed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 US claimed
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP disclosed
US-5886006-A VIRICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-23 US disclosed
US-5648516-A INTERFERON BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 US disclosed
US-5627281-A CHEMCAL INTERMEDIATES FOR VIRICIDES BY INDUCING SYNTHESIS OF INTERFERONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 US disclosed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
US-5444065-A Viricides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-22 US disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 US disclosed