SCHEMBL2511041

SCHEMBL2511041

CCS(=O)(=O)Nc1ccccc1-c1ccc2cnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3OC)nn12

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.58
NPM1 P06748 13/20 0.58
INSR P06213 12/20 0.58
JAK2 O60674 2/20 0.54
PTK2 Q05397 1/20 0.51
NUAK1 O60285 1/20 0.51

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
SCHEMBL521002 0.89 ALK (0.71) ALKNPM1INSRJAK2PTK2
SCHEMBL519844 0.85 ALK (0.77) ALKNPM1INSRJAK2
SCHEMBL2509799 0.85 ALK (0.58) ALKNPM1INSRJAK2PTK2
SCHEMBL2510622 0.84 ALK (0.60) ALKNPM1INSRJAK2PTK2
SCHEMBL520098 0.83 ALK (0.71) ALKNPM1INSRJAK2PTK2
SCHEMBL520468 0.79 ALK (0.77) ALKNPM1INSRJAK2
SCHEMBL2522168 0.79 ALK (0.59) ALKNPM1INSRJAK2PTK2
SCHEMBL2522445 0.79 ALK (0.61) ALKNPM1INSRJAK2
SCHEMBL520483 0.79 JAK2 (0.82) ALKNPM1INSRJAK2PTK2
SCHEMBL2522544 0.79 ALK (0.73) ALKNPM1INSRJAK2PTK2

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