SCHEMBL3388949

SCHEMBL3388949

Cc1ccc(-n2nc(C3(C)CC3)cc2N(OS(C)(=O)=O)C(=O)Nc2cnc(N3CCN(C(=O)c4sccc4C)CC3)c(C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ6 P48051 3/20 0.34
KCNJ5 P48544 3/20 0.34
KCNJ3 P48549 3/20 0.34
SIGLEC9 Q9Y336 1/20 0.34
LMNA P02545 1/20 0.32
MAPK14 Q16539 4/20 0.32
MAPK13 O15264 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
RAB9A P51151 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3424347 0.89 KCNJ6 (0.36) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388947 0.85 KCNJ6 (0.50) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3392466 0.84 KMT2A (0.33) HTR1AKMT2AKCNJ6KCNJ5KCNJ3
SCHEMBL3390273 0.79 MAPK14 (0.34) MAPK14MAPK13
SCHEMBL3389381 0.75 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388897 0.75 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3388686 0.74 SIGLEC9 (0.35) KMT2ASIGLEC9LMNAMAPK14RAB9A
SCHEMBL3389743 0.73 PTK2B (0.35) KMT2ASIGLEC9LMNAMAPK14MAPK13
SCHEMBL3390581 0.73 P2RY12 (0.37) KMT2AMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3388827 0.73 MAPK14 (0.38) KCNJ6KCNJ5KCNJ3MAPK14MAPK13

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