SCHEMBL4098093

SCHEMBL4098093

Nc1nccc(-c2c(-c3ccccc3F)ncn2C2CCNCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.71
CSNK1D P48730 3/20 0.71
MAPK11 Q15759 3/20 0.71
MAPK13 O15264 2/20 0.71
MAPK12 P53778 2/20 0.71
PRKD3 O94806 2/20 0.71
MAP4K4 O95819 2/20 0.71
PRKACA P17612 2/20 0.71
CSNK1A1 P48729 2/20 0.71
MINK1 Q8N4C8 2/20 0.71
MAP4K5 Q9Y4K4 2/20 0.71
RIPK2 O43353 1/20 0.71
DYRK3 O43781 1/20 0.71
PRKCG P05129 1/20 0.71
LCK P06239 1/20 0.71
LYN P07948 1/20 0.71
RET P07949 1/20 0.71
PIM1 P11309 1/20 0.71
MAPK1 P28482 1/20 0.71
FLT4 P35916 1/20 0.71

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
SCHEMBL1640842 0.85 MAPK14 (0.80) MAPK14CSNK1DMAPK11MAPK13MAPK12
Sb-220025 SCHEMBL173441 0.83 MAPK14 (1.00) MAPK14CSNK1DMAPK11MAPK13MAPK12
Sb-220025 SCHEMBL18066291 0.82 MAPK14 (0.98) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL7720179 0.79 MAPK14 (0.69) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL7688265 0.79 MAPK14 (0.45) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL7767922 0.78 MAPK14 (0.63) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL1906575 0.77 MAPK14 (0.88) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL4323452 0.77 MAPK14 (0.70) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL20550753 0.75 MAPK14 (0.91) MAPK14CSNK1DMAPK11MAPK13MAPK12
SCHEMBL7715290 0.75 MAPK14 (0.56) MAPK14CSNK1DMAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8986696-B2 Trans-capsular administration of p38 map kinase inhibitors into orthopedic joints DEPUY MITEK, INC. (US) 2015-03-24 US disclosed
US-20090162376-A1 Trans-capsular administration of p38 map kinase inhibitors into orthopedic joints DEPUY MITEK, LLC 2009-06-25 US disclosed
US-20090162351-A1 Transdiscal administration of inhibitors of p38 MAP kinase DEPUY SPINE, INC. (US) 2009-06-25 US disclosed