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SCHEMBL2651360

SCHEMBL2651360

Cc1ccc(N(C(=O)Nc2ncc(Sc3ncc[nH]3)s2)N(C(=O)Nc2ncc(Sc3ncc[nH]3)s2)c2ccc(C)cc2C(=O)C2CCCC2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TXK P42681 12/20 0.35
▸ JAK3 P52333 11/20 0.35
▸ BTK Q06187 10/20 0.35
▸ ITK Q08881 7/20 0.35
▸ GCK P35557 1/20 0.34
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL1342338 0.85 SMN1; SMN2 (0.36) SMN1; SMN2TXKJAK3BTKITK
SCHEMBL1343139 0.85 SMN1; SMN2 (0.36) SMN1; SMN2TXKJAK3BTKITK
SCHEMBL2650082 0.85 ITK (0.33) TXKJAK3ITK
SCHEMBL1342909 0.84 MAPT (0.36) SMN1; SMN2TXKJAK3BTKITK
SCHEMBL2651698 0.78 GCK (0.31) SMN1; SMN2GCK
SCHEMBL1341545 0.77 CCNE1 (0.36) SMN1; SMN2TXKJAK3BTKITK
SCHEMBL1342910 0.77 SMN1; SMN2 (0.35) SMN1; SMN2TXKJAK3BTKITK
SCHEMBL1342134 0.77 CCNE1 (0.39) SMN1; SMN2TXKJAK3BTKITK
SCHEMBL1341006 0.76 ITK (0.41) ITK
SCHEMBL1341874 0.76 CCNE1 (0.40) SMN1; SMN2TXKJAK3BTKITK

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — WO disclosed