SCHEMBL255873

SCHEMBL255873

Cc1cc2c(Nc3cn(C)cn3)nc(C(O)c3ccc(F)cc3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.44
JAK3 P52333 15/20 0.44
JAK1 P23458 10/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C8 P10632 3/20 0.44
CYP2C9 P11712 3/20 0.44
TYK2 P29597 3/20 0.44
CYP2C19 P33261 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
CYP1A2 P05177 1/20 0.44
FLT3 P36888 2/20 0.38
AURKA O14965 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
FGR P09769 1/20 0.38
FGFR1 P11362 1/20 0.38
CSNK2A2 P19784 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL175246 1.00 JAK2 (0.44) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL173820 0.80 JAK2 (0.68) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL174882 0.80 JAK2 (0.50) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL256500 0.80 JAK2 (0.68) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL10232408 0.80 JAK2 (0.50) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL15205290 0.80 JAK2 (0.62) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL164919 0.80 JAK2 (0.62) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL15205291 0.80 JAK2 (0.62) JAK2JAK3JAK1CYP3A4CYP2C8
SCHEMBL174517 0.78 FLT3 (0.40) JAK2JAK3JAK1CYP2C9CYP2C19
SCHEMBL174790 0.66 JAK2 (0.68) JAK2JAK3JAK1CYP3A4CYP2C8

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