SCHEMBL5806904

SCHEMBL5806904

O=c1n(C2CCCCCC2)nc(-c2ccncc2)n1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.43
MAPK8 P45983 5/20 0.43
MAPK10 P53779 5/20 0.43
S1PR1 P21453 1/20 0.38
CNR1 P21554 3/20 0.38
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
RAF1 P04049 1/20 0.37
GCGR P47871 1/20 0.37
GAA P10253 1/20 0.37
CNR2 P34972 1/20 0.36
AOC3 Q16853 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
HPGD P15428 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
SCHEMBL5814608 1.00 MAPK9 (0.43) MAPK9MAPK8MAPK10S1PR1CNR1
SCHEMBL5814956 0.99 MAPK9 (0.42) MAPK9MAPK8MAPK10S1PR1CNR1
SCHEMBL5820709 0.81 MAPT (0.47) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5823381 0.78 HTR6 (0.36) MAPK9MAPK8MAPK10CNR1MAPK14
SCHEMBL5805633 0.77 MAPT (0.53) MAPK9MAPK8MAPK10MAPK14MAPK13
SCHEMBL5805306 0.74 DRD2 (0.44) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL5819589 0.73 SRC (0.53) MAPK14
SCHEMBL5804303 0.72 SRC (0.52) CNR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14387344 0.71 CACNA1B (0.41) CNR1GAACNR2
SCHEMBL14387049 0.70 BLK (0.37) MAPK9MAPK8MAPK10CNR1CNR2

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
WO-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO claimed
WO-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO disclosed