SCHEMBL21868359

SCHEMBL21868359

c1cc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc(-c2ccc3ccc4ccccc4c3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.35
PARP1 P09874 1/20 0.34
PIM1 P11309 2/20 0.34
PIM2 Q9P1W9 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL648192 0.94 PDK2 (0.35) PDK2PARP1PIM1PIM2AR
SCHEMBL16381065 0.94 PDK2 (0.35) PDK2PARP1PIM1PIM2AR
SCHEMBL29518080 0.94 PDK2 (0.35) PDK2PARP1PIM1PIM2AR
SCHEMBL14278948 0.89 AR (0.35) PARP1PIM1ARKDM4EALDH1A1
SCHEMBL25850719 0.87 PDK2 (0.40) PDK2PARP1PIM1PIM2RAB9A
SCHEMBL20250441 0.86 PARP1 (0.39) PDK2PARP1PIM1PIM2CA12
SCHEMBL17717369 0.85 PDK2 (0.33) PDK2PIM1
SCHEMBL22266864 0.85 PDK2 (0.33) PDK2PIM1
SCHEMBL19768443 0.85 PDK2 (0.35) PDK2PARP1PIM1PIM2CA12
SCHEMBL24293216 0.84 PDK2 (0.37) PDK2PIM1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed