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Sugi Predict / Compounds / SCHEMBL2509535

SCHEMBL2509535

SCHEMBL2509535

CN(c1cccc(-c2ccc3cnc(O)nn23)c1)S(C)(=O)=O.C[C@H](O)CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(N(C)S(C)(=O)=O)c5)n4n3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 16/20 0.75
▸ PTK2 Q05397 8/20 0.75
▸ ALK Q9UM73 5/20 0.58
▸ NPM1 P06748 4/20 0.58
▸ INSR P06213 1/20 0.47

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
SCHEMBL2509538 1.00 JAK2 (0.75) JAK2PTK2ALKNPM1INSR
SCHEMBL520514 0.97 JAK2 (0.80) JAK2PTK2ALKNPM1
SCHEMBL520515 0.97 JAK2 (0.80) JAK2PTK2ALKNPM1
SCHEMBL520998 0.87 JAK2 (0.82) JAK2PTK2ALKNPM1INSR
SCHEMBL521265 0.86 JAK2 (1.00) JAK2PTK2ALKNPM1INSR
SCHEMBL521287 0.85 JAK2 (0.83) JAK2PTK2ALKNPM1
SCHEMBL521286 0.85 JAK2 (0.83) JAK2PTK2ALKNPM1
SCHEMBL521718 0.85 JAK2 (0.79) JAK2PTK2ALKNPM1
SCHEMBL521719 0.85 JAK2 (0.79) JAK2PTK2ALKNPM1
SCHEMBL522716 0.83 JAK2 (1.00) JAK2PTK2ALKNPM1INSR

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