SCHEMBL256552

SCHEMBL256552

Cc1cc(Nc2nc(C(C)c3ccc(F)cc3)nc3scc(C)c23)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
JAK3 P52333 9/20 0.49
JAK1 P23458 4/20 0.49
TYK2 P29597 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C8 P10632 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
ADORA3 P0DMS8 2/20 0.49
CYP1A2 P05177 1/20 0.49
NTRK1 P04629 4/20 0.46
LIMK1 P53667 1/20 0.46
LIMK2 P53671 1/20 0.46
AURKA O14965 4/20 0.43
AURKB Q96GD4 3/20 0.43
SYK P43405 2/20 0.40
PLK4 O00444 2/20 0.40
PAK4 O96013 2/20 0.40
GRK6 P43250 1/20 0.39
STK10 O94804 1/20 0.39

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
SCHEMBL174850 0.89 JAK2 (0.63) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL10232045 0.84 JAK2 (0.53) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL13187150 0.78 JAK2 (0.64) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL13187151 0.78 JAK2 (0.58) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL166330 0.77 AURKA (0.54) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL256446 0.77 JAK2 (0.79) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL255909 0.75 JAK2 (0.52) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL255875 0.74 JAK2 (0.45) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL175213 0.74 JAK2 (0.45) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL165868 0.73 JAK2 (0.63) JAK2JAK3JAK1TYK2CYP3A4

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-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed