SCHEMBL166397

SCHEMBL166397

Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3cc(C)sc23)n[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.70
JAK3 P52333 7/20 0.70
JAK1 P23458 4/20 0.70
TYK2 P29597 4/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2C8 P10632 3/20 0.70
CYP2C9 P11712 3/20 0.70
CYP2C19 P33261 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
CYP1A2 P05177 1/20 0.70
NTRK1 P04629 6/20 0.46
AURKA O14965 6/20 0.46
AURKB Q96GD4 5/20 0.46
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
PLK4 O00444 2/20 0.40
PAK4 O96013 2/20 0.40
SRC P12931 1/20 0.40
EIF2AK2 P19525 1/20 0.40
GSK3A P49840 1/20 0.40

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
SCHEMBL256570 1.00 JAK2 (0.70) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL256522 0.89 JAK2 (0.66) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL168981 0.89 JAK2 (0.66) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL166132 0.86 JAK2 (0.70) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL256488 0.86 JAK2 (0.70) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL256500 0.85 JAK2 (0.68) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL173820 0.85 JAK2 (0.68) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL720853 0.83 JAK2 (0.82) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL174367 0.83 JAK2 (0.82) JAK2JAK3JAK1TYK2CYP3A4
SCHEMBL255907 0.83 JAK2 (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed