SCHEMBL19981194

SCHEMBL19981194

CC(=N)c1ccc(Nc2nc3cccc(CC4CCOCC4)n3n2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.39
JAK3 P52333 11/20 0.39
PTK2 Q05397 11/20 0.39
JAK1 P23458 2/20 0.33
CNR2 P34972 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14474287 0.79 JAK2 (0.38) JAK2JAK3PTK2JAK1
SCHEMBL2145009 0.78 JAK2 (0.39) JAK2JAK3PTK2JAK1CYP1A2
SCHEMBL2144767 0.77 SYK (0.42) JAK2JAK3PTK2CYP1A2
SCHEMBL3304622 0.77 JAK2 (0.35) JAK2JAK3PTK2JAK1
SCHEMBL2145126 0.76 JAK2 (0.39) JAK2JAK3PTK2JAK1
SCHEMBL2144820 0.75 GRM4 (0.39) JAK2JAK3PTK2
SCHEMBL2144566 0.75 GRM4 (0.39) JAK2JAK3PTK2
SCHEMBL3309539 0.75 GRM4 (0.41) JAK2JAK3PTK2
SCHEMBL2143995 0.75 JAK2 (0.38) JAK2JAK3PTK2JAK1
SCHEMBL2144893 0.75 KIT (0.41) JAK2JAK3PTK2

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-2018053189-A2 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-22 WO disclosed