SCHEMBL2527113

SCHEMBL2527113

CCS(=O)(=O)Nc1cccc(-c2ccc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cc4OC)nn23)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.67
INSR P06213 10/20 0.67
NPM1 P06748 9/20 0.67
JAK2 O60674 3/20 0.51
EGFR P00533 4/20 0.49
TTK P33981 1/20 0.48
IGF1R P08069 1/20 0.48
KCNH2 Q12809 1/20 0.47
CAMK2D Q13557 1/20 0.47

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
SCHEMBL520392 0.93 ALK (0.71) ALKINSRNPM1JAK2EGFR
SCHEMBL2512614 0.88 ALK (0.75) ALKINSRNPM1JAK2TTK
SCHEMBL521711 0.85 ALK (0.77) ALKINSRNPM1JAK2EGFR
SCHEMBL16530397 0.84 ALK (0.62) ALKINSRNPM1JAK2EGFR
SCHEMBL521467 0.84 ALK (0.67) ALKINSRNPM1JAK2EGFR
SCHEMBL16531165 0.84 ALK (0.70) ALKINSRNPM1JAK2EGFR
SCHEMBL2523374 0.83 ALK (0.72) ALKINSRNPM1JAK2TTK
SCHEMBL520257 0.83 INSR (0.59) ALKINSRNPM1JAK2
SCHEMBL16530449 0.83 INSR (0.68) ALKINSRJAK2
SCHEMBL521279 0.83 ALK (0.60) ALKINSRNPM1JAK2EGFR

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