SCHEMBL15416892

SCHEMBL15416892

COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)O)CC5)cc4)nc23)c1F

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.81
PTK2 Q05397 20/20 0.81
JAK2 O60674 19/20 0.81

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
SCHEMBL15416874 0.92 JAK3 (0.81) JAK3PTK2JAK2
SCHEMBL2634446 0.90 JAK3 (1.00) JAK3PTK2JAK2
SCHEMBL15416791 0.86 JAK3 (0.82) JAK3PTK2JAK2
SCHEMBL2640395 0.86 JAK2 (1.00) JAK3PTK2JAK2
SCHEMBL15416792 0.85 JAK2 (0.77) JAK3PTK2JAK2
SCHEMBL2634969 0.85 JAK2 (1.00) JAK3PTK2JAK2
SCHEMBL15416893 0.85 JAK3 (0.81) JAK3PTK2JAK2
SCHEMBL15416866 0.82 JAK3 (0.82) JAK3PTK2JAK2
SCHEMBL2634263 0.82 JAK3 (1.00) JAK3PTK2JAK2
SCHEMBL2640472 0.78 JAK2 (1.00) JAK3PTK2JAK2

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-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed