SCHEMBL15048629

SCHEMBL15048629

COc1ccc(-c2ccc3cnc(N(c4cccc(C5CNCCN5)c4)N(c4cccc(C5CN(C)CCN5C)c4)c4ncc5ccc(-c6ccc(OC)nc6)n5n4)nn23)cn1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.39
PTK2 Q05397 1/20 0.34

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
SCHEMBL521673 0.74 JAK2 (0.62) JAK2PTK2
SCHEMBL522091 0.74 JAK2 (0.53) JAK2PTK2
SCHEMBL522389 0.69 JAK2 (0.60) JAK2PTK2
SCHEMBL521144 0.69 JAK2 (0.70) JAK2PTK2
SCHEMBL3478587 0.64 JAK2 (0.44) JAK2PTK2
SCHEMBL521385 0.60 JAK2 (0.56) JAK2PTK2
SCHEMBL521246 0.58 JAK2 (0.52) JAK2PTK2
SCHEMBL524289 0.57 JAK2 (0.40) JAK2
SCHEMBL520185 0.57 JAK2 (0.76) JAK2
SCHEMBL521803 0.57 JAK2 (0.76) JAK2PTK2

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