SCHEMBL15048636

SCHEMBL15048636

CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)N6CCCC6)c5)n4n3)cc2)CC1.CN1CCC(c2ccc(Nc3ncc4ccc(Br)n4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.59
PTK2 Q05397 10/20 0.59
INSR P06213 2/20 0.46
ALK Q9UM73 2/20 0.46
NPM1 P06748 1/20 0.45

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
SCHEMBL15048650 0.99 JAK2 (0.59) JAK2PTK2INSRALKNPM1
SCHEMBL521511 0.95 JAK2 (0.64) JAK2PTK2INSRALKNPM1
SCHEMBL520587 0.95 JAK2 (0.63) JAK2PTK2INSRALKNPM1
SCHEMBL520506 0.86 JAK2 (0.77) JAK2PTK2INSRALKNPM1
SCHEMBL520383 0.86 JAK2 (0.66) JAK2PTK2ALKNPM1
SCHEMBL521954 0.84 JAK2 (0.66) JAK2PTK2INSRALKNPM1
SCHEMBL521098 0.83 JAK2 (0.82) JAK2PTK2INSRALKNPM1
SCHEMBL520605 0.83 JAK2 (0.64) JAK2PTK2INSRALKNPM1
SCHEMBL519159 0.83 JAK2 (0.75) JAK2PTK2INSRALK
SCHEMBL521789 0.82 JAK2 (0.65) 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 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