SCHEMBL2661980

SCHEMBL2661980

CC(C)(C)C(Cc1cnc(Nc2n[nH]c3c(OCCc4ccccn4)cc(-c4ncccc4Cl)cc23)s1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
HPGD P15428 1/20 0.31
MAPK1 P28482 4/20 0.31
ITGB3 P05106 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGAV P06756 1/20 0.30
ITGA5 P08648 1/20 0.30

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
SCHEMBL16508704 0.87 JAK2 (0.54) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495293 0.86 JAK2 (0.65) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495288 0.86 JAK2 (0.53) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495160 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2668316 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3HPGD
SCHEMBL16495285 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2661983 0.85 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL9072745 0.84 JAK2 (0.51) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2661609 0.84 JAK2 (0.49) JAK2JAK1TYK2JAK3HPGD
SCHEMBL2661978 0.83 JAK2 (0.47) JAK2JAK1TYK2JAK3

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-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed