SCHEMBL2485252

SCHEMBL2485252

COc1cc(C2(O)CCN(CCF)CC2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 19/20 0.85
NPM1 P06748 10/20 0.63
INSR P06213 5/20 0.62
JAK2 O60674 2/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL520360 1.00 ALK (0.85) ALKNPM1INSRJAK2KCNH2
SCHEMBL520928 0.94 ALK (0.84) ALKNPM1INSRJAK2KCNH2
SCHEMBL520378 0.92 ALK (1.00) ALKNPM1INSRJAK2KCNH2
SCHEMBL2482462 0.90 ALK (0.82) ALKNPM1INSRJAK2KCNH2
SCHEMBL520101 0.90 ALK (0.82) ALKNPM1INSRJAK2KCNH2
SCHEMBL2528619 0.87 ALK (0.70) ALKNPM1INSRJAK2KCNH2
SCHEMBL519796 0.85 ALK (1.00) ALKNPM1INSRJAK2KCNH2
SCHEMBL519721 0.85 ALK (0.73) ALKNPM1INSRJAK2KCNH2
SCHEMBL519973 0.84 ALK (0.74) ALKNPM1INSRJAK2KCNH2
SCHEMBL520899 0.82 ALK (0.88) ALKNPM1INSRJAK2KCNH2

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 claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed