SCHEMBL764559

SCHEMBL764559

Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.58
JAK2 O60674 5/20 0.58
FLT3 P36888 4/20 0.58
RET P07949 2/20 0.58
JAK1 P23458 2/20 0.58
WEE1 P30291 2/20 0.58
JAK3 P52333 2/20 0.58
BRDT Q58F21 2/20 0.58
ALK Q9UM73 2/20 0.58
BUB1B O60566 1/20 0.58
BRD2 P25440 1/20 0.58
BRD3 Q15059 1/20 0.58
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
STK25 O00506 1/20 0.53
CIT O14578 1/20 0.53
RIOK3 O14730 1/20 0.53
CHEK1 O14757 1/20 0.53
IKBKB O14920 1/20 0.53
CASK O14936 1/20 0.53

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
SCHEMBL265608 0.87 BRD4 (0.78) BRD4JAK2FLT3RETJAK1
SCHEMBL16985212 0.81 BRD4 (0.79) BRD4JAK2FLT3RETJAK1
SCHEMBL264717 0.78 BRD4 (0.69) BRD4JAK2FLT3RETJAK1
SCHEMBL264387 0.78 BRD4 (0.67) BRD4JAK2FLT3RETJAK1
SCHEMBL25381278 0.77 BRD4 (0.59) BRD4JAK2FLT3RETJAK1
SCHEMBL30565201 0.77 BRD4 (0.59) BRD4JAK2FLT3RETJAK1
SCHEMBL28810379 0.75 BRD4 (0.60) BRD4JAK2FLT3RETJAK1
SCHEMBL13868198 0.74 AXL (0.61) BRD4JAK2FLT3RETJAK1
SCHEMBL14536299 0.74 AXL (0.65) BRD4JAK2FLT3RETJAK1
SCHEMBL265061 0.73 BRD4 (1.00) BRD4JAK2FLT3RETJAK1

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
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed