SCHEMBL173813

SCHEMBL173813

Cc1csc2c(Nc3cc[nH]n3)nc(C(O)c3ccc(F)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.46
JAK3 P52333 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C8 P10632 3/20 0.46
CYP2C9 P11712 3/20 0.46
JAK1 P23458 3/20 0.46
TYK2 P29597 3/20 0.46
CYP2C19 P33261 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE10A Q9Y233 1/20 0.32
PRKCI P41743 5/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL256527 1.00 JAK2 (0.46) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL165868 0.86 JAK2 (0.63) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255875 0.85 JAK2 (0.45) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL175213 0.85 JAK2 (0.45) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174137 0.78 KDM4E (0.45) JAK2JAK3ADORA3KDM4ENPSR1
SCHEMBL174882 0.78 JAK2 (0.50) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL10232408 0.78 JAK2 (0.50) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL173922 0.77 JAK2 (0.47) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL255852 0.75 JAK2 (0.57) JAK2JAK3CYP3A4CYP2C8CYP2C9
SCHEMBL174253 0.75 JAK2 (0.57) JAK2JAK3CYP3A4CYP2C8CYP2C9

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