SCHEMBL12801263

SCHEMBL12801263

CNc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.71
JAK3 P52333 6/20 0.63
STK17A Q9UEE5 2/20 0.58
MYLK4 Q86YV6 1/20 0.58
JAK1 P23458 2/20 0.58
TYK2 P29597 2/20 0.58
AURKA O14965 2/20 0.58
CDK1 P06493 2/20 0.58
CDK4 P11802 2/20 0.58
CDK2 P24941 2/20 0.58
CDK9 P50750 2/20 0.58
AURKB Q96GD4 2/20 0.58
CDC7 O00311 1/20 0.58
PLK4 O00444 1/20 0.58
CIT O14578 1/20 0.58
CHEK1 O14757 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
PDPK1 O15530 1/20 0.58
DAPK3 O43293 1/20 0.58

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
SCHEMBL12800920 0.89 JAK2 (0.68) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12801273 0.89 JAK2 (0.78) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12800923 0.88 JAK2 (0.74) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12801098 0.88 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL12801702 0.87 JAK2 (0.64) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12801556 0.86 JAK2 (0.71) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12801099 0.86 JAK2 (0.74) JAK2JAK3STK17AMYLK4JAK1
SCHEMBL12274138 0.85 JAK2 (0.69) JAK2JAK3JAK1TYK2CDK2
SCHEMBL12800935 0.85 JAK2 (0.69) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL12801653 0.85 JAK2 (0.85) JAK2JAK3STK17AMYLK4JAK1

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