SCHEMBL12801232

SCHEMBL12801232

COc1cc(Nc2nccc(-c3ccc(OC4CCOCC4)c(N)c3)n2)ccc1N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.61
TBK1 Q9UHD2 12/20 0.55
JAK3 P52333 1/20 0.55
ZAP70 P43403 1/20 0.52
IGF1R P08069 1/20 0.51
IKBKE Q14164 8/20 0.49
TNIK Q9UKE5 2/20 0.49
KCNH2 Q12809 1/20 0.49
MTOR P42345 1/20 0.49
SMG1 Q96Q15 1/20 0.49

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
SCHEMBL12801647 0.94 JAK2 (0.60) JAK2TBK1JAK3ZAP70IGF1R
SCHEMBL12801557 0.92 JAK2 (0.57) JAK2TBK1JAK3ZAP70IGF1R
SCHEMBL12801081 0.91 JAK2 (0.56) JAK2TBK1JAK3IKBKESMG1
SCHEMBL12522258 0.90 JAK2 (0.56) JAK2TBK1IKBKEKCNH2
SCHEMBL12801124 0.90 JAK2 (0.54) JAK2TBK1JAK3IKBKESMG1
SCHEMBL12801087 0.89 JAK2 (0.54) JAK2TBK1JAK3IKBKE
SCHEMBL12801649 0.89 JAK2 (0.56) JAK2TBK1JAK3IKBKESMG1
SCHEMBL12801237 0.89 JAK2 (0.53) JAK2TBK1JAK3ZAP70IKBKE
SCHEMBL12801117 0.89 JAK2 (0.53) JAK2TBK1JAK3IKBKESMG1
SCHEMBL12800933 0.89 TBK1 (0.56) JAK2TBK1JAK3ZAP70IKBKE

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed