SCHEMBL2144339

SCHEMBL2144339

O=C1CN(CCc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CCN1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.41
JAK3 P52333 10/20 0.41
PTK2 Q05397 9/20 0.41
JAK1 P23458 3/20 0.41
TRPV4 Q9HBA0 1/20 0.38
HTR2A P28223 2/20 0.37
SCN9A Q15858 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL2144840 0.91 JAK2 (0.46) JAK2JAK3PTK2JAK1SCN9A
SCHEMBL3300834 0.85 JAK2 (0.42) JAK2JAK3PTK2JAK1SCN9A
SCHEMBL3302340 0.83 JAK2 (0.42) JAK2JAK3PTK2JAK1CTSS
SCHEMBL3303365 0.82 SCN9A (0.44) JAK2JAK3PTK2JAK1HTR2A
SCHEMBL2144682 0.81 JAK2 (0.43) JAK2JAK3PTK2JAK1SCN9A
SCHEMBL2145026 0.81 PTK2 (0.48) JAK2JAK3PTK2JAK1CTSS
SCHEMBL2145005 0.79 JAK2 (0.47) JAK2JAK3PTK2JAK1CTSS
SCHEMBL2145387 0.78 PTK2 (0.46) JAK2JAK3PTK2JAK1CTSS
SCHEMBL2144608 0.77 JAK2 (0.41) JAK2JAK3PTK2JAK1SCN9A
SCHEMBL2144333 0.77 JAK2 (0.41) JAK2JAK3PTK2JAK1CTSS

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-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP claimed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO claimed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed