SCHEMBL3393200

SCHEMBL3393200

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)nc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGDS O60760 1/20 0.37
LMNA P02545 5/20 0.36
MAPK14 Q16539 3/20 0.36
SRC P12931 1/20 0.36
SYK P43405 1/20 0.36
GSK3A P49840 1/20 0.36
NPY2R P49146 1/20 0.36
MAPT P10636 2/20 0.36
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3394297 0.94 PTK2B (0.40) PTK2BALDH1A1LMNAMAPK14SRC
SCHEMBL3392512 0.94 PTK2B (0.36) PTK2BMAPK14SRCSYKGSK3A
SCHEMBL3391076 0.93 PHGDH (0.40) PTK2BALDH1A1MAPK14SRCSYK
SCHEMBL3394286 0.93 LMNA (0.37) PTK2BALDH1A1LMNAMAPK14MAPT
SCHEMBL3392554 0.92 PTK2B (0.37) PTK2BALDH1A1MAPK14SRCSYK
SCHEMBL3174404 0.92 MAPK14 (0.38) PTK2BALDH1A1LMNAMAPK14MAPT
SCHEMBL3394251 0.92 PTK2B (0.39) PTK2BALDH1A1LMNAMAPK14MAPT
SCHEMBL3390908 0.92 ALDH1A1 (0.38) PTK2BALDH1A1MAPK14SRCSYK
SCHEMBL3389398 0.91 PTK2B (0.36) PTK2BLMNAMAPK14SRCSYK
SCHEMBL3392832 0.90 BRAF (0.35) PTK2BLMNAMAPK14POLBMAPK13

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
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed