SCHEMBL6685706

SCHEMBL6685706

CCOCc1nc2c(N)nc(CCCCN)c(C)c2[nH]1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL29664041 0.79 ADORA3 (0.33)
SCHEMBL6764065 0.73 PI4KA (0.38)
SCHEMBL31260318 0.71 ADORA3 (0.31)
SCHEMBL18588106 0.71 TLR8 (0.42)
SCHEMBL5500726 0.69 DHFR (0.34)
SCHEMBL9043184 0.68
SCHEMBL4763415 0.66 TLR7 (0.49)
SCHEMBL31260314 0.64 CHEK1 (0.36)
SCHEMBL4070545 0.63 TLR8 (0.34)
SCHEMBL23421507 0.63 TLR8 (0.36)

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-1453829-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-08 EP disclosed
US-20040019076-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
WO-2003050117-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed