SCHEMBL2365130

SCHEMBL2365130

O=C(c1cnc(OC(c2ccc(S(=O)(=O)C3CC3)cc2)c2cc3ncc(Cl)nc3[nH]2)cn1)N1CCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.35
PRKAA2 P54646 5/20 0.33
NAMPT P43490 2/20 0.32
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
SCN9A Q15858 4/20 0.31
KCNH2 Q12809 2/20 0.31
SCN7A Q01118 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
PTK2 Q05397 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2178905 0.77 GCK (0.38) GCKNAMPT
SCHEMBL2179681 0.75 GCK (0.48) GCKSCN9AKCNH2SCN5A
SCHEMBL3761810 0.70 GCK (0.53) GCK
SCHEMBL2178177 0.70 GCK (0.47) GCK
SCHEMBL2178179 0.65 ALDH1A1 (0.34) GCKNAMPTALDH1A1
SCHEMBL2177869 0.64 GCK (0.44) GCK
SCHEMBL2178624 0.63 GCK (0.38) GCK
SCHEMBL2197573 0.61 PIK3CA (0.34) GCKKCNH2ALDH1A1
SCHEMBL1810013 0.61 PTK2 (0.57) NAMPTPTK2ALDH1A1
SCHEMBL2179805 0.61 CNR2 (0.38) GCKALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO claimed