SCHEMBL14536301

SCHEMBL14536301

CCC(C)(C)Nc1ncc(C)c(Nc2cccc(S(=O)(=O)N(C)C)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.49
BRD4 O60885 4/20 0.49
HDAC1 Q13547 2/20 0.49
JAK2 O60674 6/20 0.47
JAK3 P52333 13/20 0.47
SYK P43405 5/20 0.47
EGFR P00533 4/20 0.47
RET P07949 3/20 0.47
WEE1 P30291 3/20 0.47
FLT3 P36888 3/20 0.47
ALK Q9UM73 3/20 0.47
BTK Q06187 3/20 0.47
TYK2 P29597 3/20 0.47
PLK4 O00444 2/20 0.47
CHEK1 O14757 2/20 0.47
AURKA O14965 2/20 0.47
DCLK1 O15075 2/20 0.47
DAPK3 O43293 2/20 0.47
ROCK2 O75116 2/20 0.47
PAK4 O96013 2/20 0.47

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
SCHEMBL270658 0.90 JAK1 (0.51) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL12111065 0.85 JAK3 (0.49) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL270505 0.83 JAK1 (0.50) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL17915957 0.81 BRD4 (0.51) JAK1BRD4JAK2JAK3SYK
SCHEMBL306757 0.81 JAK1 (0.45) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL13494388 0.81 BRD4 (0.57) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL12321387 0.80 JAK3 (0.60) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL13868406 0.79 EGFR (0.53) BRD4JAK2JAK3SYKEGFR
SCHEMBL12111172 0.78 EGFR (0.60) JAK1BRD4HDAC1JAK2JAK3
SCHEMBL301475 0.78 BRD4 (0.55) BRD4HDAC1JAK2JAK3SYK

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-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed