SCHEMBL2481985

SCHEMBL2481985

CN1CCC(c2ccc(Nc3ncc4ccc(C5=CN(C(=O)OC(C)(C)C)CCC5)n4n3)cc2)CC1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.47
PTK2 Q05397 15/20 0.47
INSR P06213 1/20 0.39
NPM1 P06748 1/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL2482265 0.87 JAK2 (0.45) JAK2PTK2INSRNPM1ALK
SCHEMBL519486 0.86 JAK2 (0.65) JAK2PTK2INSRNPM1ALK
SCHEMBL16530330 0.76 JAK2 (0.62) JAK2PTK2INSRNPM1ALK
SCHEMBL520127 0.73 JAK2 (0.63) JAK2PTK2INSRNPM1ALK
SCHEMBL520717 0.71 JAK2 (0.63) JAK2PTK2INSRNPM1ALK
SCHEMBL521205 0.70 JAK2 (0.67) JAK2PTK2INSRNPM1ALK
SCHEMBL16530416 0.66 JAK2 (0.65) JAK2PTK2INSRNPM1ALK
SCHEMBL520765 0.66 JAK2 (0.75) JAK2PTK2INSRNPM1ALK
SCHEMBL522295 0.65 ALK (0.56) JAK2PTK2INSRALK
SCHEMBL521111 0.64 JAK2 (0.71) JAK2PTK2INSRNPM1ALK

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