SCHEMBL6484686

SCHEMBL6484686

CCN(CC)C(C)c1ccc2c(n1)nc(-c1ccc(F)cc1)n2-c1ccnc(NC2CCCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.65
MAPK8 P45983 1/20 0.65
MAPK9 P45984 1/20 0.65
MAPK10 P53779 12/20 0.45
HRH4 Q9H3N8 3/20 0.39

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
SCHEMBL6477632 0.87 MAPK8 (0.68) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6484491 0.86 MAPK8 (0.68) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6477066 0.85 MAPK8 (0.67) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6484326 0.83 EGFR (0.64) EGFRMAPK8MAPK9MAPK10HRH4
Diethylamine SCHEMBL6478017 0.82 EGFR (0.68) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6476578 0.81 MAPK8 (0.71) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6489073 0.81 MAPK8 (0.71) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6483479 0.79 MAPK8 (0.68) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6477504 0.79 MAPK8 (0.68) EGFRMAPK8MAPK9MAPK10HRH4
SCHEMBL6485328 0.79 EGFR (1.00) EGFRMAPK8MAPK9MAPK10HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6891039-B2 Imidazo [4,5-B] pyridine compounds and their pharmaceuticals use NOVARTIS AG (CH) 2005-05-10 US disclosed
US-6608072-B1 Inhibiting production of soluble tumor necrosis factor or reducing inflammation NOVARTIS AG (CH) 2003-08-19 US disclosed