SCHEMBL3469442

SCHEMBL3469442

CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5N)n4n3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.77
ALK Q9UM73 10/20 0.77
INSR P06213 8/20 0.77
CYP3A4 P08684 2/20 0.77
NPM1 P06748 2/20 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
SCHEMBL3465960 0.89 JAK2 (0.75) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520981 0.88 JAK2 (0.77) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521011 0.88 JAK2 (0.77) JAK2ALKINSRCYP3A4NPM1
SCHEMBL2521959 0.87 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520366 0.86 ALK (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519479 0.85 ALK (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520301 0.85 ALK (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521634 0.85 ALK (0.74) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521929 0.85 JAK2 (0.73) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521526 0.85 ALK (0.85) JAK2ALKINSRCYP3A4NPM1

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 5 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed