SCHEMBL2016689

SCHEMBL2016689

O=C1NC(=O)C(c2nn(CC3CCNC(CO)C3)c3ccccc23)=C1c1c[nH]c2sccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.43
PRKACA P17612 3/20 0.37
PRKACG P22612 2/20 0.37
PRKACB P22694 2/20 0.37
PRKCB P05771 13/20 0.37
PRKCA P17252 12/20 0.37
GSK3B P49841 12/20 0.37
PRKCG P05129 11/20 0.37
PRKCD Q05655 7/20 0.37
KISS1R Q969F8 1/20 0.36
PRKCH P24723 2/20 0.34
PRKCE Q02156 2/20 0.34
PIM1 P11309 2/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
MARK3 P27448 1/20 0.34

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
SCHEMBL1993567 0.90 CAMK2D (0.41) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1990076 0.89 CAMK2D (0.48) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1993512 0.89 CAMK2D (0.44) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1991673 0.88 CAMK2D (0.40) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1993579 0.85 PRKACA (0.49) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1990843 0.85 CAMK2D (0.44) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1992218 0.82 CAMK2D (0.49) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1996421 0.82 CAMK2D (0.50) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL1991812 0.82 CAMK2D (0.45) CAMK2DPRKACAPRKACGPRKACBPRKCB
SCHEMBL12563848 0.81 CAMK2D (0.45) CAMK2DPRKACAPRKACGPRKACBPRKCB

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-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed