SCHEMBL17690688

SCHEMBL17690688

OC[C@]1(O)CC[C@@H](Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 8/20 0.39
PTK2 Q05397 8/20 0.39
PIM1 P11309 4/20 0.35
SCN9A Q15858 4/20 0.34
BMI1 P35226 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
SCHEMBL2145153 0.89 JAK2 (0.44) JAK2JAK1JAK3PTK2PIM1
SCHEMBL2145150 0.89 JAK2 (0.44) JAK2JAK1JAK3PTK2PIM1
SCHEMBL2145147 0.89 JAK2 (0.44) JAK2JAK1JAK3PTK2PIM1
SCHEMBL3305993 0.88 JAK2 (0.41) JAK2JAK1JAK3PTK2SCN9A
SCHEMBL3305999 0.88 JAK2 (0.41) JAK2JAK1JAK3PTK2SCN9A
SCHEMBL13391951 0.88 JAK2 (0.44) JAK2JAK1JAK3PTK2PIM1
SCHEMBL17685406 0.86 JAK2 (0.41) JAK2JAK1JAK3PTK2PIM1
SCHEMBL2144131 0.85 JAK2 (0.44) JAK2JAK1JAK3PTK2SCN9A
SCHEMBL2144135 0.85 JAK2 (0.44) JAK2JAK1JAK3PTK2SCN9A
SCHEMBL2144458 0.85 JAK2 (0.44) JAK2JAK1JAK3PTK2SCN9A

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
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed