SCHEMBL12801129

SCHEMBL12801129

CC1(COc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2N)COC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.69
JAK3 P52333 6/20 0.59
STK17A Q9UEE5 3/20 0.53
MYLK4 Q86YV6 2/20 0.53
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
CIT O14578 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
RIPK2 O43353 1/20 0.51
BUB1 O43683 1/20 0.51
CCNT1 O60563 1/20 0.51
ROCK2 O75116 1/20 0.51
RPS6KA4 O75676 1/20 0.51
STK16 O75716 1/20 0.51
STK10 O94804 1/20 0.51

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
SCHEMBL1667666 0.88 TBK1 (0.65) JAK2JAK3PLK4CITGAK
SCHEMBL12801653 0.86 JAK2 (0.85) JAK2JAK3STK17AMYLK4CDC7
SCHEMBL12801611 0.85 JAK2 (0.70) JAK2JAK3STK17AMYLK4CDC7
SCHEMBL12801572 0.85 JAK2 (0.69) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12801615 0.85 JAK2 (0.69) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12801337 0.84 JAK2 (0.69) JAK2JAK3JAK1TYK2
SCHEMBL12801288 0.84 JAK2 (0.68) JAK2JAK3STK17AMYLK4CDC7
SCHEMBL12800919 0.83 JAK2 (0.67) JAK2JAK3JAK1TYK2
SCHEMBL12801273 0.83 JAK2 (0.78) JAK2JAK3STK17AMYLK4CDC7
SCHEMBL12801593 0.83 JAK2 (0.72) JAK2JAK3STK17AMYLK4CDC7

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