SCHEMBL15048653

SCHEMBL15048653

CN1CCN(c2ccc(Nc3ncc4ccc(Br)n4n3)cc2)CC1.COCc1cccc(-c2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.65
INSR P06213 8/20 0.65
JAK2 O60674 12/20 0.60
CYP3A4 P08684 2/20 0.58
NPM1 P06748 1/20 0.48

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
SCHEMBL521512 0.95 ALK (0.72) ALKINSRJAK2CYP3A4NPM1
SCHEMBL15048654 0.90 ALK (0.67) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520762 0.85 ALK (0.74) ALKINSRJAK2CYP3A4
SCHEMBL521808 0.85 ALK (0.74) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520453 0.82 ALK (0.75) ALKINSRJAK2CYP3A4NPM1
SCHEMBL519959 0.82 ALK (0.69) ALKINSRJAK2CYP3A4NPM1
SCHEMBL16530415 0.81 ALK (0.68) ALKINSRJAK2CYP3A4
SCHEMBL520426 0.81 ALK (0.68) ALKINSRJAK2CYP3A4NPM1
SCHEMBL16530367 0.81 ALK (0.68) ALKINSRJAK2CYP3A4NPM1
SCHEMBL3469388 0.81 ALK (0.80) ALKINSRJAK2CYP3A4NPM1

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-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