SCHEMBL16493530

SCHEMBL16493530

CCNc1cc(Oc2cccc(N(C(=O)O)C(C)(C)C)c2)ncc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.36
MAPK8 P45983 3/20 0.36
GRN P28799 2/20 0.34
SORT1 Q99523 2/20 0.34
MAP2K7 O14733 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34
TNNI3K Q59H18 1/20 0.34
ROCK1 Q13464 3/20 0.33
LOXL2 Q9Y4K0 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
LOX P28300 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 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
SCHEMBL16493542 0.85 MAPT (0.42) ALDH1A1HTTNPSR1MAPTMEN1
SCHEMBL16493544 0.85 MAPT (0.42) ALDH1A1HTTNPSR1MAPTMEN1
SCHEMBL4003246 0.84 MAPK10 (0.36) MAPK10MAPK8GAAMAPTMEN1
SCHEMBL4008389 0.81 ROCK1 (0.45) MAP2K7BRAFKDRMAPK14TNNI3K
SCHEMBL3512431 0.79 KDM4E (0.54) GRNSORT1ALDH1A1HTTGAA
SCHEMBL3511097 0.73 CDK8 (0.53)
SCHEMBL2194318 0.73 NR4A1 (0.45) BRAFALDH1A1GAAMAPTGFER
SCHEMBL2194186 0.73 HDAC2 (0.38) BRAF
SCHEMBL3511358 0.71 HSPB1 (0.46) ALDH1A1HTTGAANPSR1KDM4E
SCHEMBL3511355 0.71 HSPB1 (0.46) ALDH1A1HTTGAANPSR1KDM4E

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-1675552-B1 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-04-11 EP disclosed