SCHEMBL13725016

SCHEMBL13725016

CC(=O)NCc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.72
▸ JAK3 P52333 8/20 0.64
▸ TYK2 P29597 4/20 0.64
▸ JAK1 P23458 5/20 0.63
▸ MAPK8 P45983 3/20 0.59
▸ MAPK10 P53779 3/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ BMPR1B O00238 1/20 0.59
▸ PLK4 O00444 1/20 0.59
▸ CIT O14578 1/20 0.59
▸ GAK O14976 1/20 0.59
▸ OPA1 O60313 1/20 0.59
▸ ROCK2 O75116 1/20 0.59
▸ STK16 O75716 1/20 0.59
▸ PRKD3 O94806 1/20 0.59
▸ CSNK2A2 P19784 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ MARK3 P27448 1/20 0.59
▸ BMPR1A P36894 1/20 0.59
▸ TGFBR1 P36897 1/20 0.59

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
SCHEMBL13253257 0.90 JAK2 (0.68) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL4381422 0.89 JAK2 (0.77) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL2870956 0.87 JAK2 (0.78) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL13724670 0.85 JAK2 (0.69) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL4379023 0.85 JAK2 (0.80) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL30052705 0.84 JAK2 (1.00) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL2880284 0.84 JAK2 (1.00) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL13725012 0.84 JAK2 (0.67) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL4734676 0.83 JAK2 (0.71) JAK2JAK3TYK2JAK1MAPK8
SCHEMBL3622937 0.81 JAK2 (0.80) JAK2JAK3TYK2JAK1MAPK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704722-A1 MULTIPLE MYELOMA TREATMENT YM BioSciences Australia Pty Ltd (US) 2014-03-12 — — EP disclosed
WO-2012149602-A1 MULTIPLE MYELOMA TREATMENT YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-11-08 — — WO disclosed
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