SCHEMBL12856400

SCHEMBL12856400

OCCC#Cc1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 1.00
MAPK11 Q15759 5/20 0.62
MAP4K4 O95819 2/20 0.62
MAPK13 O15264 4/20 0.44
MAPK12 P53778 4/20 0.44
GCGR P47871 1/20 0.44
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CDC42BPA Q5VT25 1/20 0.43
AURKB Q96GD4 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43
MAPK10 P53779 1/20 0.42

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
Rwj-67657 SCHEMBL162010 1.00 MAPK14 (1.00) MAPK14MAPK11MAP4K4MAPK13MAPK12
Rwj-67657 SCHEMBL5815060 0.99 MAPK14 (0.98) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5999009 0.95 MAPK14 (0.91) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7145536 0.94 MAPK14 (0.89) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5998654 0.93 MAPK14 (0.87) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5820266 0.92 MAPK14 (0.85) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL13035057 0.90 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL7141213 0.90 MAPK14 (0.82) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL1127681 0.90 MAPK14 (0.81) MAPK14MAPK11MAP4K4MAPK13MAPK12
SCHEMBL5997587 0.89 MAPK14 (0.80) MAPK14MAPK11MAP4K4MAPK13MAPK12

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-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed