SCHEMBL15048474

SCHEMBL15048474

COc1cc(N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.84
NPM1 P06748 11/20 0.84
INSR P06213 8/20 0.84
JAK2 O60674 5/20 0.70
KCNH2 Q12809 1/20 0.70
CYP3A4 P08684 1/20 0.63
EGFR P00533 1/20 0.54
MET P08581 1/20 0.54

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
SCHEMBL520358 0.92 ALK (0.78) ALKNPM1INSRJAK2KCNH2
SCHEMBL520037 0.92 ALK (0.78) ALKNPM1INSRJAK2KCNH2
SCHEMBL520036 0.92 ALK (0.78) ALKNPM1INSRJAK2KCNH2
SCHEMBL522072 0.92 ALK (1.00) ALKNPM1INSRJAK2KCNH2
SCHEMBL521122 0.90 ALK (0.80) ALKNPM1INSRJAK2CYP3A4
SCHEMBL520256 0.89 ALK (0.94) ALKNPM1INSRJAK2KCNH2
SCHEMBL520530 0.88 ALK (0.81) ALKNPM1INSRJAK2KCNH2
SCHEMBL520159 0.88 ALK (0.84) ALKNPM1INSRJAK2KCNH2
SCHEMBL520184 0.88 ALK (0.84) ALKNPM1INSRJAK2KCNH2
SCHEMBL520519 0.88 ALK (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed