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Sugi Predict / Compounds / SCHEMBL2661983

SCHEMBL2661983

SCHEMBL2661983

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

nearest known ligand 0.49

Predicted protein targets (top 6)

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
▸ RAF1 P04049 2/20 0.31
▸ MAP2K1 Q02750 2/20 0.31

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
SCHEMBL16495285 0.90 JAK2 (0.52) JAK2JAK1TYK2JAK3RAF1
SCHEMBL2661978 0.87 JAK2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2661442 0.87 JAK2 (0.48) JAK2JAK1TYK2JAK3
SCHEMBL16495293 0.86 JAK2 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL16495160 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL16495374 0.85 JAK2 (0.47) JAK2JAK1TYK2JAK3
SCHEMBL2668316 0.85 JAK2 (0.52) JAK2JAK1TYK2JAK3
SCHEMBL16495288 0.85 JAK2 (0.53) JAK2JAK1TYK2JAK3
SCHEMBL2661980 0.85 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL9072745 0.84 JAK2 (0.51) 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