Methane

Methane

SCHEMBL2507451

C.COc1ccccc1-c1ccc2cnc(Nc3cccc(C(=O)N4CCOC([S+]([O-])c5ncc6ccc(-c7ccccc7OC)n6n5)C4)c3)nn12

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.59
ALK Q9UM73 9/20 0.47
INSR P06213 7/20 0.47
NPM1 P06748 6/20 0.47
PTK2 Q05397 2/20 0.47
CYP3A4 P08684 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
SCHEMBL2507452 0.86 JAK2 (0.72) JAK2ALKINSRNPM1PTK2
SCHEMBL520060 0.83 JAK2 (0.83) JAK2ALKINSRNPM1PTK2
SCHEMBL519953 0.80 JAK2 (0.71) JAK2ALKINSRNPM1PTK2
SCHEMBL520059 0.75 JAK2 (0.64) JAK2ALKINSRNPM1PTK2
SCHEMBL520595 0.75 JAK2 (0.70) JAK2ALKINSRNPM1PTK2
SCHEMBL520261 0.75 JAK2 (1.00) JAK2ALKINSRNPM1PTK2
SCHEMBL16530494 0.72 JAK2 (0.61) JAK2ALKINSRNPM1PTK2
SCHEMBL520290 0.72 JAK2 (1.00) JAK2ALKINSRNPM1CYP3A4
SCHEMBL520006 0.71 JAK2 (0.59) JAK2ALKINSRNPM1PTK2
SCHEMBL520483 0.71 JAK2 (0.82) JAK2ALKINSRNPM1PTK2

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