SCHEMBL14899201

SCHEMBL14899201

c1cc(-c2ccc(-c3ccoc3)cc2)n2nc(Nc3ccc(CCCN4CCCC4)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.55
JAK3 P52333 16/20 0.55
PTK2 Q05397 16/20 0.55
JAK1 P23458 1/20 0.45
MAP3K5 Q99683 1/20 0.43

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
SCHEMBL14899198 0.87 JAK2 (0.60) JAK2JAK3PTK2JAK1
SCHEMBL14899196 0.87 JAK2 (0.71) JAK2JAK3PTK2JAK1
SCHEMBL14899229 0.86 JAK2 (0.59) JAK2JAK3PTK2JAK1
SCHEMBL14899208 0.86 JAK2 (0.55) JAK2JAK3PTK2JAK1
SCHEMBL13032382 0.85 JAK2 (0.77) JAK2JAK3PTK2JAK1
SCHEMBL14899215 0.85 JAK2 (0.56) JAK2JAK3PTK2JAK1
SCHEMBL14899200 0.84 JAK2 (0.55) JAK2JAK3PTK2JAK1
SCHEMBL14899205 0.84 JAK2 (0.55) JAK2JAK3PTK2JAK1
SCHEMBL14899214 0.84 JAK2 (0.57) JAK2JAK3PTK2JAK1
SCHEMBL14899207 0.83 JAK2 (0.56) JAK2JAK3PTK2JAK1

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-8431596-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-04-30 US disclosed