SCHEMBL4702114

SCHEMBL4702114

Cc1cccc2nc(N)c3nc4n(c3c12)CCOC4

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
ELANE P08246 4/20 0.35
TP53 P04637 4/20 0.35
MAPT P10636 2/20 0.35
BCHE P06276 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL13974298 0.89 ACHE (0.39) ACHEELANEBCHEGRIN1GRIN2A
SCHEMBL2241078 0.85 ALDH1A1 (0.35) ELANETP53MAPTDHFRALDH1A1
SCHEMBL2513546 0.84 LMNA (0.33) TP53MAPTDHFRALDH1A1POLB
SCHEMBL2243546 0.83 DHFR (0.33) HRH4DHFRALDH1A1POLBTLR7
SCHEMBL4704199 0.83 KCNA5 (0.36) TP53MAPTHRH4DHFRALDH1A1
SCHEMBL4792173 0.83 TP53 (0.34) TP53MAPTDHFRALDH1A1POLB
SCHEMBL1775006 0.82 MAPT (0.36) TP53MAPTDHFRALDH1A1TLR7
SCHEMBL4794357 0.82 PIK3CB (0.33) TP53MAPTDHFRALDH1A1POLB
SCHEMBL4791809 0.82 POLB (0.39) ELANETP53MAPTALDH1A1POLB
SCHEMBL12097860 0.81 KDM4E (0.34) TP53MAPTALDH1A1POLBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO disclosed