SCHEMBL174882

SCHEMBL174882

Cc1cc2c(Nc3cc[nH]n3)nc(C(O)c3ccc(F)cc3)nc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.50
JAK3 P52333 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C8 P10632 3/20 0.50
JAK1 P23458 3/20 0.50
TYK2 P29597 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
CYP1A2 P05177 1/20 0.50
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE10A Q9Y233 1/20 0.34
NTRK1 P04629 1/20 0.33
MAPK1 P28482 3/20 0.32
POLB P06746 1/20 0.31
FGFR1 P11362 1/20 0.31
LIMK1 P53667 1/20 0.31
LIMK2 P53671 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL10232408 1.00 JAK2 (0.50) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL256500 0.86 JAK2 (0.68) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL173820 0.86 JAK2 (0.68) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL175213 0.81 JAK2 (0.45) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL255875 0.81 JAK2 (0.45) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL255873 0.80 JAK2 (0.44) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL175246 0.80 JAK2 (0.44) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL174255 0.80 JAK2 (0.57) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL255852 0.80 JAK2 (0.57) JAK2JAK3CYP2C9CYP2C19CYP3A4
SCHEMBL174253 0.80 JAK2 (0.57) JAK2JAK3CYP2C9CYP2C19CYP3A4

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