SCHEMBL3422290

SCHEMBL3422290

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4F)CC3)nc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.37
MAPK12 P53778 3/20 0.37
MAPK13 O15264 2/20 0.37
MAPK11 Q15759 2/20 0.37
PTK2B Q14289 2/20 0.37
BRAF P15056 6/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
DDR2 Q16832 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A9 P48067 1/20 0.33
GBA1 P04062 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3393250 0.95 MAPK12 (0.40) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3174404 0.93 MAPK14 (0.38) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3390664 0.90 BRAF (0.35) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3391110 0.90 GBA1 (0.41) GBA1
SCHEMBL3392832 0.90 BRAF (0.35) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3393224 0.90 GBA1 (0.38) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3389419 0.90 ALDH1A1 (0.39) MAPK14PTK2BKMT2AGAAKDM4E
SCHEMBL3392562 0.89 KMT2A (0.36) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3393200 0.89 PTK2B (0.37) MAPK14MAPK12MAPK13MAPK11PTK2B
SCHEMBL3392100 0.89 PTK2B (0.39) MAPK14MAPK12MAPK13MAPK11PTK2B

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