SCHEMBL2508178

SCHEMBL2508178

CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)c1.CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 1.00
PTK2 Q05397 14/20 1.00

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
SCHEMBL521533 1.00 JAK2 (1.00) JAK2PTK2
SCHEMBL519853 0.94 JAK2 (0.89) JAK2PTK2
SCHEMBL519877 0.91 JAK2 (0.83) JAK2PTK2
SCHEMBL521389 0.91 JAK2 (0.84) JAK2PTK2
SCHEMBL520600 0.91 JAK2 (1.00) JAK2PTK2
SCHEMBL520072 0.90 JAK2 (0.82) JAK2PTK2
SCHEMBL520901 0.90 JAK2 (0.82) JAK2PTK2
SCHEMBL521618 0.89 JAK2 (0.81) JAK2PTK2
SCHEMBL521132 0.89 JAK2 (0.81) JAK2PTK2
SCHEMBL520179 0.89 JAK2 (1.00) JAK2PTK2

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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed