SCHEMBL3469388

SCHEMBL3469388

CN1CCN(c2ccc(Nc3ncc4ccc(-c5cccc(N)c5)n4n3)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.80
INSR P06213 8/20 0.80
JAK2 O60674 10/20 0.70
CYP3A4 P08684 2/20 0.65
NPM1 P06748 2/20 0.54
FLT3 P36888 1/20 0.54
MAPKAPK2 P49137 1/20 0.53
JAK3 P52333 1/20 0.52
PTK2 Q05397 1/20 0.52

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
SCHEMBL521179 0.90 ALK (0.75) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520258 0.89 ALK (0.78) ALKINSRJAK2CYP3A4NPM1
SCHEMBL3467110 0.89 INSR (0.79) ALKINSRJAK2CYP3A4NPM1
SCHEMBL519479 0.89 ALK (1.00) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520453 0.88 ALK (0.75) ALKINSRJAK2CYP3A4NPM1
SCHEMBL3467119 0.87 ALK (0.72) ALKINSRJAK2CYP3A4JAK3
SCHEMBL520762 0.87 ALK (0.74) ALKINSRJAK2CYP3A4JAK3
SCHEMBL519908 0.86 JAK2 (0.80) ALKINSRJAK2CYP3A4JAK3
SCHEMBL522405 0.86 ALK (0.76) ALKINSRJAK2CYP3A4NPM1
SCHEMBL519994 0.86 ALK (0.83) 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 6 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed