Methane

Methane

SCHEMBL2510883

C.COc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCN(C(CO)[S+]([O-])c5ncc6ccc(-c7ccccc7OC)n6n5)CC4)c3)nn12

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.69
ALK Q9UM73 8/20 0.56
INSR P06213 7/20 0.56
CYP3A4 P08684 1/20 0.56
NPM1 P06748 6/20 0.54

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
SCHEMBL2510881 0.84 JAK2 (0.71) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519503 0.82 JAK2 (0.81) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519866 0.82 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL2484901 0.81 JAK2 (0.77) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519879 0.81 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519166 0.81 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519165 0.81 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520290 0.80 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520024 0.80 JAK2 (0.77) JAK2ALKINSRCYP3A4NPM1
SCHEMBL521082 0.74 JAK2 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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