SCHEMBL17916014

SCHEMBL17916014

CNc1ncc(C)c(Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.66
JAK2 O60674 8/20 0.66
JAK1 P23458 7/20 0.66
JAK3 P52333 5/20 0.66
FLT3 P36888 4/20 0.66
RET P07949 2/20 0.66
WEE1 P30291 2/20 0.66
BRDT Q58F21 2/20 0.66
ALK Q9UM73 2/20 0.66
BUB1B O60566 1/20 0.66
BRD2 P25440 1/20 0.66
BRD3 Q15059 1/20 0.66
HDAC1 Q13547 4/20 0.62
TYK2 P29597 3/20 0.61
BMPR1B O00238 1/20 0.61
PLK4 O00444 1/20 0.61
STK25 O00506 1/20 0.61
CIT O14578 1/20 0.61
RIOK3 O14730 1/20 0.61
CHEK1 O14757 1/20 0.61

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
SCHEMBL25382998 0.93 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL30565206 0.93 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL30565204 0.93 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL270232 0.91 BRD4 (0.66) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031088 0.90 BRD4 (0.73) BRD4JAK2JAK1JAK3FLT3
SCHEMBL12279008 0.89 TNNI3K (0.57) BRD4JAK2JAK1JAK3FLT3
SCHEMBL10267408 0.88 BRD4 (0.64) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031046 0.88 BRD4 (0.74) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031073 0.87 BRD4 (0.67) BRD4JAK2JAK1JAK3FLT3
SCHEMBL13031062 0.86 BRD4 (0.71) BRD4JAK2JAK1JAK3FLT3

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-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed