SCHEMBL12136

SCHEMBL12136

Nc1cncc2[nH]nc(-c3ccc(O)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.50
MAPK1 P28482 3/20 0.50
MAPKAPK2 P49137 3/20 0.50
MAPK6 Q16659 3/20 0.50
FGFR1 P11362 4/20 0.49
FGFR2 P21802 4/20 0.49
PDPK1 O15530 1/20 0.49
HSP90AB1 P08238 1/20 0.49
FGFR3 P22607 2/20 0.47
MAPKAPK3 Q16644 2/20 0.44
MAPKAPK5 Q8IW41 1/20 0.44
BTK Q06187 4/20 0.37
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
RPS6KA3 P51812 1/20 0.35

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
SCHEMBL2724700 0.82 AURKA (0.41) MAP2K4MAPK1MAPKAPK2MAPK6FGFR1
SCHEMBL6643551 0.79 BTK (0.48) BTK
SCHEMBL6116093 0.69 BTK (0.65) FGFR1BTKRPS6KA3
SCHEMBL15650052 0.67 LRRK2 (0.41) MAPK1BTK
SCHEMBL11325 0.67 PIK3CG (0.49) MAP2K4MAPK1MAPKAPK2MAPK6FGFR1
SCHEMBL4200287 0.66 IDO1 (0.71) MAP2K4MAPK1MAPKAPK2MAPK6FGFR1
SCHEMBL13019158 0.65 PIK3CG (0.47) MYCWDR5ADORA2AADORA1
SCHEMBL1663652 0.65 FGFR1 (0.68) MAP2K4MAPK1MAPKAPK2MAPK6FGFR1
SCHEMBL2239527 0.64 FGFR1 (0.52) MAPK1FGFR1FGFR2PDPK1FGFR3
SCHEMBL5072725 0.64 KDR (0.59) MAP2K4MAPK1MAPKAPK2MAPK6FGFR1

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
EP-2491037-A1 COMPOUNDS Respivert Limited (GB) 2012-08-29 EP disclosed
WO-2011048111-A1 COMPOUNDS RESPIVERT LIMITED (GB) 2011-04-28 WO disclosed