SCHEMBL5809092

SCHEMBL5809092

COC(=O)C(=O)c1ccc(Nc2ccnc(N(C)C)c2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 2/20 0.42
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C1 Q04828 2/20 0.42
MAPK14 Q16539 4/20 0.41
CDC25B P30305 5/20 0.39
MAPK10 P53779 3/20 0.36
MAPK9 P45984 2/20 0.36
GAK O14976 1/20 0.36
RIPK2 O43353 1/20 0.36
COQ8A Q8NI60 1/20 0.36
NLK Q9UBE8 1/20 0.36
MAPK8 P45983 1/20 0.35
S1PR1 P21453 1/20 0.35
OPRD1 P41143 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL4410951 0.79 MAPK14 (0.55) MAPK14
SCHEMBL1599203 0.77 MAPK10 (0.47) MAPK10MAPK9
SCHEMBL4571044 0.75 MAPK14 (0.80) MAPK14
SCHEMBL5806276 0.73 MAPK14 (0.58) MAPK14
SCHEMBL5810394 0.70 EGFR (0.36) GAKRIPK2COQ8ANLKS1PR1
SCHEMBL5198985 0.68 TAAR1 (0.49) HTTAURKA
SCHEMBL1600197 0.67 MAPK8 (0.48) MAPK14MAPK10MAPK8AURKA
SCHEMBL1600714 0.67 MAPK8 (0.40) MAPK14MAPK8AURKA
SCHEMBL1600050 0.66 IDO1 (0.46) CDC25B
SCHEMBL9290332 0.64 PLK1 (0.41) CDC25BCYP1A2

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
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed