SCHEMBL2481673

SCHEMBL2481673

COc1ccccc1-c1ccc2cnc(Nc3ccc4c(c3)COO4)nn12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.64
ALK Q9UM73 7/20 0.61
INSR P06213 6/20 0.61
CYP3A4 P08684 1/20 0.61
NPM1 P06748 4/20 0.54
PTK2 Q05397 2/20 0.53

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
SCHEMBL519996 0.84 JAK2 (0.68) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519688 0.80 JAK2 (0.68) JAK2ALKINSRCYP3A4NPM1
SCHEMBL16530534 0.80 JAK2 (0.66) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519325 0.80 JAK2 (0.65) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520579 0.80 JAK2 (0.72) JAK2ALKINSRCYP3A4NPM1
SCHEMBL518831 0.79 JAK2 (0.80) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520588 0.79 JAK2 (0.71) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519188 0.79 JAK2 (1.00) JAK2ALKINSRCYP3A4NPM1
SCHEMBL519794 0.79 JAK2 (0.83) JAK2ALKINSRCYP3A4NPM1
SCHEMBL2511251 0.79 INSR (0.46) JAK2ALKINSRPTK2

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