SCHEMBL3394262

SCHEMBL3394262

Cc1ccc(-n2nc(C(C)(C)C)cc2N(OS(C)(=O)=O)C(=O)Nc2ccc(N3CCN(C(=O)c4ccccn4)CC3)nc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
KDM4E B2RXH2 5/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KHK P50053 1/20 0.38
PTK2B Q14289 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK12 P53778 2/20 0.36
MAPK14 Q16539 2/20 0.36
BRAF P15056 2/20 0.35
TTK P33981 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAMPT P43490 1/20 0.35
HCK P08631 1/20 0.35

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 0.90 PTK2B (0.39) KDM4EHTTSMN1; SMN2ALDH1A1PTK2B
SCHEMBL3392100 0.89 PTK2B (0.39) PTK2BLMNAKMT2AMAPK12MAPK14
SCHEMBL3389419 0.88 ALDH1A1 (0.39) GAAKDM4EALDH1A1PTK2BLMNA
SCHEMBL3393224 0.88 GBA1 (0.38) GAAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL3393250 0.88 MAPK12 (0.40) GAAKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL3394297 0.88 PTK2B (0.40) KDM4EHTTSMN1; SMN2ALDH1A1PTK2B
SCHEMBL3180430 0.88 CDK8 (0.35) PTK2BMAPK12MAPK14BRAF
SCHEMBL3391110 0.87 GBA1 (0.41)
SCHEMBL3393213 0.87 PTK2B (0.38) KDM4ESMN1; SMN2PTK2BLMNAMAPK12
SCHEMBL3174404 0.87 MAPK14 (0.38) HTTALDH1A1PTK2BLMNAMAPK12

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