SCHEMBL2521959

SCHEMBL2521959

COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 12/20 1.00
▸ ALK Q9UM73 10/20 1.00
▸ INSR P06213 8/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ NPM1 P06748 3/20 0.78

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
SCHEMBL519594 0.92 JAK2 (0.85) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520680 0.92 JAK2 (0.84) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520165 0.91 JAK2 (0.83) JAK2ALKINSRCYP3A4NPM1
SCHEMBL518916 0.90 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520566 0.90 JAK2 (0.81) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519866 0.90 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520653 0.89 JAK2 (0.81) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521257 0.89 ALK (0.81) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521909 0.89 ALK (0.79) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521025 0.88 JAK2 (0.79) 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 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 claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 — — EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 — — WO disclosed
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