SCHEMBL13724670

SCHEMBL13724670

NC(=O)Cc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.69
▸ JAK3 P52333 9/20 0.65
▸ JAK1 P23458 5/20 0.65
▸ TYK2 P29597 4/20 0.65
▸ MAPK8 P45983 2/20 0.60
▸ MAPK10 P53779 2/20 0.60
▸ HDAC3 O15379 1/20 0.59
▸ NCOR1 O75376 1/20 0.59
▸ HDAC1 Q13547 1/20 0.59
▸ HDAC2 Q92769 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.59
▸ HDAC6 Q9UBN7 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
SCHEMBL13725012 0.91 JAK2 (0.67) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL3622937 0.87 JAK2 (0.80) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL13253257 0.86 JAK2 (0.68) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL13725016 0.85 JAK2 (0.72) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL5479846 0.83 PLK1 (0.66) JAK2JAK3MAPK8MAPK10
SCHEMBL4734676 0.83 JAK2 (0.71) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL12801112 0.82 JAK2 (1.00) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL2870956 0.82 JAK2 (0.78) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL4379023 0.81 JAK2 (0.80) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL4381946 0.81 JAK2 (0.76) JAK2JAK3JAK1TYK2MAPK8

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
Send feedback