SCHEMBL20161937

SCHEMBL20161937

CN(C)CCn1cc(N(C)N)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
TYK2 P29597 1/20 0.34
ALOX5AP P20292 3/20 0.34
CYP2D6 P10635 2/20 0.34
PDPK1 O15530 1/20 0.33
PIK3CA P42336 1/20 0.33
NEK2 P51955 1/20 0.33
CYP2C9 P11712 1/20 0.33
CNR2 P34972 1/20 0.32
MET P08581 1/20 0.32
TGFBR1 P36897 3/20 0.31
MAP4K4 O95819 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
KDM1A O60341 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KHK P50053 1/20 0.31
FGFR1 P11362 1/20 0.30

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
SCHEMBL1703246 0.78 MAPT (0.41) FLT3JAK2JAK1JAK3TYK2
Hydrochloric Acid SCHEMBL23704668 0.76 MAPT (0.44) FLT3JAK2JAK1JAK3TYK2
SCHEMBL12093594 0.76 LMNA (0.39) FLT3JAK2JAK1JAK3TYK2
SCHEMBL5199006 0.74 JAK2 (0.35) FLT3JAK2JAK1JAK3TYK2
SCHEMBL553466 0.74 ALDH1A1 (0.41) JAK2JAK1JAK3TYK2ALOX5AP
SCHEMBL20257886 0.74 JAK2 (0.35) FLT3JAK2JAK1JAK3TYK2
SCHEMBL12090072 0.73 TGFBR1 (0.41) FLT3JAK2JAK1JAK3TYK2
SCHEMBL10263497 0.73 TLR7 (0.39) FLT3JAK2JAK1JAK3TYK2
SCHEMBL20921989 0.71 TAS2R8 (0.44) JAK2JAK1JAK3TGFBR1MAP4K4
SCHEMBL10203201 0.71 TGFBR1 (0.40) FLT3JAK2JAK1JAK3TYK2

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-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed