SCHEMBL16250511

SCHEMBL16250511

CNC(=O)c1ccc(Nc2nc3cccc(-c4ccc(OCF)cc4)n3n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.63
JAK1 P23458 5/20 0.61
JAK3 P52333 7/20 0.55
PTK2 Q05397 6/20 0.55
TYK2 P29597 1/20 0.47
EGLN2 Q96KS0 1/20 0.45

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
SCHEMBL7964178 0.88 JAK2 (0.81) JAK2JAK1JAK3PTK2TYK2
SCHEMBL16250512 0.88 JAK2 (0.62) JAK2JAK1JAK3PTK2TYK2
SCHEMBL16364893 0.87 JAK2 (0.58) JAK2JAK1JAK3PTK2
SCHEMBL3215657 0.86 JAK2 (0.63) JAK2JAK1JAK3PTK2
SCHEMBL13073401 0.85 JAK2 (0.76) JAK2JAK1JAK3PTK2TYK2
SCHEMBL2146398 0.85 JAK2 (0.75) JAK2JAK1JAK3PTK2
SCHEMBL3192870 0.84 JAK2 (0.63) JAK2JAK1JAK3PTK2
SCHEMBL3205653 0.84 JAK2 (0.61) JAK2JAK1JAK3PTK2
SCHEMBL16250537 0.82 JAK2 (0.51) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3208718 0.81 JAK2 (0.82) JAK2JAK1JAK3PTK2

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
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed