SCHEMBL3392832

SCHEMBL3392832

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4cc(F)ccc4F)CC3)nc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.35
PTK2B Q14289 1/20 0.35
MAPK14 Q16539 4/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
RUVBL1 Q9Y265 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SLC6A9 P48067 1/20 0.33
GPR6 P46095 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
SCHEMBL3390664 0.95 BRAF (0.35) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3393250 0.93 MAPK12 (0.40) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3394286 0.91 LMNA (0.37) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3422290 0.90 MAPK14 (0.37) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3389398 0.90 PTK2B (0.36) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3392512 0.90 PTK2B (0.36) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3393200 0.90 PTK2B (0.37) PTK2BMAPK14MAPK13MAPK12MAPK11
SCHEMBL3174404 0.89 MAPK14 (0.38) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3394251 0.89 PTK2B (0.39) BRAFPTK2BMAPK14LMNA
SCHEMBL3389419 0.89 ALDH1A1 (0.39) PTK2BMAPK14TP53LMNA

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