SCHEMBL3389398

SCHEMBL3389398

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)nc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.36
BRAF P15056 6/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 3/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
SRC P12931 1/20 0.33
SYK P43405 1/20 0.33
GSK3A P49840 1/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL3394251 0.94 PTK2B (0.39) PTK2BBRAFLMNAMAPTHTT
SCHEMBL3394286 0.93 LMNA (0.37) PTK2BBRAFLMNAMAPTHTT
SCHEMBL3392512 0.92 PTK2B (0.36) PTK2BBRAFMAPTMAPK14MAPK13
SCHEMBL3393200 0.91 PTK2B (0.37) PTK2BLMNAMAPTHTTMAPK14
SCHEMBL3394297 0.91 PTK2B (0.40) PTK2BBRAFLMNAHTTMAPK14
SCHEMBL3392832 0.90 BRAF (0.35) PTK2BBRAFLMNAMAPK14MAPK13
SCHEMBL3392554 0.90 PTK2B (0.37) PTK2BHTTMAPK14KMT2AMEN1
SCHEMBL3393248 0.90 MAPT (0.43) PTK2BLMNAMAPTHTTMAPK14
SCHEMBL3174404 0.90 MAPK14 (0.38) PTK2BBRAFLMNAMAPTHTT
SCHEMBL3391076 0.90 PHGDH (0.40) PTK2BMAPK14KMT2AMEN1CYP1A2

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