SCHEMBL22435830

SCHEMBL22435830

N/C(=N\C(=N/Sc1ccccc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc3-2)c2ccccc2-c2ccccc21)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 6/20 0.36
▸ HTR7 P34969 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ AKT1 P31749 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL17233969 0.76 PDK2 (0.38) PDK2HTR7HTR2BKDM4EMEN1
SCHEMBL23018864 0.72 PDK2 (0.33) PDK2HTR7HTR2B
SCHEMBL12697697 0.70 PDK2 (0.32) PDK2HTR7HTR2B
SCHEMBL21845610 0.70 PDK2 (0.43) PDK2HTR7HTR2BKDM4E
SCHEMBL21845673 0.69 GRIN2B (0.40) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL26166960 0.68 GRIN2B (0.46) PDK2
SCHEMBL21845624 0.67 GRIN2B (0.38) PDK2
SCHEMBL21937294 0.67 PRSS1 (0.36) PDK2HTR7HTR2B
SCHEMBL23262445 0.67 HTR2B (0.34) PDK2HTR7HTR2B
Hydrochloric Acid SCHEMBL5846911 0.66 PDK2 (0.54) PDK2KMT2A

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-2020184906-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-09-17 — — WO disclosed
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