SCHEMBL3477763

SCHEMBL3477763

CN1CCC(c2ccc(Nc3ncc4ccc(-c5ccn(C)n5)n4n3)cc2)CC1.CN1CCC(c2ccc(Nc3ncc4ccc(Br)n4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.50
PTK2 Q05397 11/20 0.50
INSR P06213 3/20 0.49
ALK Q9UM73 3/20 0.49
NPM1 P06748 1/20 0.49
TTK P33981 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL521496 0.94 JAK2 (0.54) JAK2PTK2INSRALKNPM1
SCHEMBL520502 0.90 INSR (0.50) JAK2PTK2INSRALKNPM1
SCHEMBL521674 0.78 INSR (0.59) JAK2PTK2INSRALKNPM1
SCHEMBL15048636 0.78 JAK2 (0.59) JAK2PTK2INSRALKNPM1
SCHEMBL15048650 0.77 JAK2 (0.59) JAK2PTK2INSRALKNPM1
SCHEMBL522212 0.77 ALK (0.80) JAK2PTK2INSRALKNPM1
SCHEMBL522163 0.77 JAK2 (0.53) JAK2PTK2
SCHEMBL521663 0.76 JAK2 (0.58) JAK2PTK2INSRALKNPM1
SCHEMBL521751 0.76 JAK2 (0.76) JAK2PTK2INSRALK
SCHEMBL521803 0.76 JAK2 (0.76) JAK2PTK2INSRALKNPM1

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 3 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed