SCHEMBL2501685

SCHEMBL2501685

COc1cc(NC(=O)C(C)N2CCOCC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.63
NPM1 P06748 13/20 0.63
INSR P06213 13/20 0.63
JAK2 O60674 6/20 0.63
PTK2 Q05397 1/20 0.55
CYP3A4 P08684 1/20 0.53

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
SCHEMBL2518000 0.92 ALK (0.66) ALKNPM1INSRJAK2PTK2
SCHEMBL521530 0.78 ALK (0.70) ALKNPM1INSRJAK2PTK2
SCHEMBL521665 0.78 ALK (0.78) ALKNPM1INSRJAK2PTK2
SCHEMBL520797 0.77 ALK (0.62) ALKNPM1INSRJAK2PTK2
SCHEMBL520261 0.77 JAK2 (1.00) ALKNPM1INSRJAK2PTK2
SCHEMBL520190 0.77 ALK (0.68) ALKNPM1INSRJAK2PTK2
SCHEMBL518916 0.76 JAK2 (1.00) ALKNPM1INSRJAK2PTK2
SCHEMBL521200 0.76 ALK (0.75) ALKNPM1INSRJAK2PTK2
SCHEMBL521199 0.76 ALK (0.75) ALKNPM1INSRJAK2PTK2
SCHEMBL519561 0.76 ALK (0.81) 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