SCHEMBL2298729

SCHEMBL2298729

Fc1ccc(C2=C(c3ccnc(NCCc4ccccc4)c3)NC(=S)[N]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.53
MAPK13 O15264 4/20 0.53
MAPK12 P53778 4/20 0.53
MAPK11 Q15759 4/20 0.53
HTR7 P34969 4/20 0.45
BUB1 O43683 2/20 0.39
ACHE P22303 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL2295783 0.75 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5353409 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL6508399 0.73 MEN1 (0.38) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7214775 0.69 NR3C2 (0.57) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL2896073 0.69 MAPK14 (0.93) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2849513 0.68 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL828375 0.68 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11BUB1
SCHEMBL2846548 0.67 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL11099101 0.66 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL4257781 0.66 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed