SCHEMBL14022587

SCHEMBL14022587

CN(O)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 12/20 0.85
PRKACG P22612 12/20 0.85
PRKACB P22694 12/20 0.85
CDK4 P11802 4/20 0.85
CCND1 P24385 4/20 0.85
CCNB2 O95067 3/20 0.85
CDK1 P06493 3/20 0.85
CCNB1 P14635 3/20 0.85
CCNB3 Q8WWL7 3/20 0.85
PRKCA P17252 3/20 0.85
PRKD1 Q15139 2/20 0.85
TDP1 Q9NUW8 2/20 0.85
GSK3B P49841 2/20 0.85
PIM1 P11309 2/20 0.85
CCNE2 O96020 2/20 0.85
CCNE1 P24864 2/20 0.85
CDK2 P24941 2/20 0.85
PRKCB P05771 2/20 0.85
PRKCH P24723 2/20 0.85
PRKCQ Q04759 2/20 0.85

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
Gf-109203 SCHEMBL338086 0.92 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
Gf-109203 SCHEMBL29353725 0.92 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
Gf-109203 SCHEMBL29534077 0.91 PRKACA (0.98) PRKACAPRKACGPRKACBCDK4CCND1
Gf-109203 SCHEMBL1199513 0.91 PRKACA (0.98) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL7826095 0.88 PRKACA (0.81) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL7823516 0.88 PRKACA (0.88) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9085417 0.87 PRKACA (0.80) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8074668 0.86 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL1680137 0.84 CAMK2D (1.00) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL9084210 0.84 PRKACA (0.81) PRKACAPRKACGPRKACBCDK4CCND1

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-2008139152-A1 N-OXIDE-CONTAINING PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2008-11-20 WO disclosed