SCHEMBL14622293

SCHEMBL14622293

CCc1cccc(C)c1Nc1nc(Nc2ccc(OC)cc2)ncc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.51
AURKA O14965 5/20 0.50
SYK P43405 3/20 0.50
ALDH1A1 P00352 1/20 0.49
JAK2 O60674 2/20 0.48
HDAC1 Q13547 1/20 0.48
EGFR P00533 3/20 0.48
CDK2 P24941 2/20 0.48
STK17A Q9UEE5 2/20 0.48
CHEK1 O14757 2/20 0.48
NTRK2 Q16620 2/20 0.48
BTK Q06187 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
DCLK1 O15075 1/20 0.48
PDPK1 O15530 1/20 0.48
DAPK3 O43293 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48

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
SCHEMBL653706 0.74 SYK (0.72) JAK3AURKASYKALDH1A1JAK2
SCHEMBL19675784 0.74 MERTK (0.54) AURKASYKALDH1A1JAK2HDAC1
SCHEMBL28504300 0.74 JAK3 (0.63) JAK3AURKASYKJAK2HDAC1
SCHEMBL12278793 0.73 EPHB4 (0.49) JAK3AURKASYKJAK2HDAC1
SCHEMBL19675865 0.73 AURKA (0.66) JAK3AURKASYKJAK2HDAC1
SCHEMBL2911248 0.72 MAPT (0.54) JAK3AURKASYKALDH1A1JAK2
SCHEMBL18165623 0.72 EGFR (0.82) JAK3JAK2EGFRBTKLYN
SCHEMBL19654299 0.71 BRD4 (0.67) JAK3AURKASYKALDH1A1JAK2
SCHEMBL19654300 0.71 BRD4 (0.67) JAK3AURKASYKALDH1A1JAK2
SCHEMBL20288209 0.70 JAK2 (0.75) JAK3AURKASYKJAK2HDAC1

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-2007008541-A2 CELLULAR CHOLESTEROL ABSORPTION MODIFIERS KALYPSYS, INC. (US) 2007-01-18 WO disclosed