SCHEMBL15089076

SCHEMBL15089076

c1ccc(-c2ccc3c4c(cccc24)-c2cc4c(cc2N3c2cc(-c3cccnc3)ccn2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
PIK3CA P42336 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRKDC P78527 1/20 0.32
COMT P21964 1/20 0.32
BACE1 P56817 5/20 0.30
KCNH2 Q12809 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
SCHEMBL15089101 0.93 PDK2 (0.34) PDK2PRKDC
SCHEMBL15089202 0.87 PDK2 (0.34) PDK2COMTBACE1
SCHEMBL15089228 0.86 CYP11B1 (0.35) PDK2CYP11B1CYP11B2
SCHEMBL15089227 0.83 PDK2 (0.35) PDK2COMT
SCHEMBL15089186 0.81 PDE6D (0.36)
SCHEMBL15089223 0.81 PDK2 (0.35) PDK2CYP11B1CYP11B2BACE1KCNH2
SCHEMBL15089179 0.78 MEN1 (0.37) PDK2
SCHEMBL15089044 0.78 CDK8 (0.32)
SCHEMBL15089187 0.77
SCHEMBL15089100 0.77 PDK2 (0.35) PDK2PIK3CACYP11B1CYP11B2COMT

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-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed