SCHEMBL3467110

SCHEMBL3467110

Nc1cccc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INSR P06213 6/20 0.79
JAK2 O60674 10/20 0.63
ALK Q9UM73 6/20 0.63
PTK2 Q05397 2/20 0.51
CYP3A4 P08684 1/20 0.51
JAK3 P52333 1/20 0.51
PLK4 O00444 1/20 0.50
NPM1 P06748 1/20 0.49
SYK P43405 1/20 0.47
ITK Q08881 1/20 0.47
PKMYT1 Q99640 1/20 0.46

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
SCHEMBL3469388 0.89 ALK (0.80) INSRJAK2ALKPTK2CYP3A4
SCHEMBL519436 0.89 INSR (0.78) INSRJAK2ALKPTK2CYP3A4
SCHEMBL520176 0.89 INSR (1.00) INSRJAK2ALKPTK2CYP3A4
SCHEMBL520844 0.87 INSR (0.75) INSRJAK2ALKPTK2CYP3A4
SCHEMBL3467107 0.87 INSR (0.71) INSRJAK2ALKPTK2CYP3A4
SCHEMBL521035 0.87 INSR (0.74) INSRJAK2ALKPTK2CYP3A4
SCHEMBL520637 0.87 INSR (0.74) INSRJAK2ALKPTK2CYP3A4
SCHEMBL519702 0.86 INSR (0.82) INSRJAK2ALKPTK2CYP3A4
SCHEMBL519183 0.85 JAK2 (0.72) INSRJAK2ALKPTK2CYP3A4
SCHEMBL519632 0.84 INSR (0.70) INSRJAK2ALKPTK2CYP3A4

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 6 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
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed