SCHEMBL3390664

SCHEMBL3390664

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)nc2C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PTK2B Q14289 1/20 0.35
MAPK14 Q16539 5/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
GPR6 P46095 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
SLC6A9 P48067 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
RUVBL1 Q9Y265 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL3392832 0.95 BRAF (0.35) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3393250 0.93 MAPK12 (0.40) BRAFKDM4EPTK2BMAPK14MAPK13
SCHEMBL3394286 0.91 LMNA (0.37) BRAFKDM4EPTK2BMAPK14MAPK13
SCHEMBL3422290 0.90 MAPK14 (0.37) BRAFKDM4EPTK2BMAPK14MAPK13
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) BRAFKDM4EPTK2BMAPK14LMNA
SCHEMBL3389398 0.89 PTK2B (0.36) BRAFPTK2BMAPK14MAPK13MAPK12
SCHEMBL3389419 0.89 ALDH1A1 (0.39) KDM4EPTK2BMAPK14LMNATP53

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