SCHEMBL28855740

SCHEMBL28855740

N#CC#N.N#CC#N.N#CC#N.N#CC#N.N#CC#N.N#CC#N.c1cnc2c(n1)c1nccnc1c1nccnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.34
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MMP8 P22894 1/20 0.30
CCR1 P32246 1/20 0.30
THPO P40225 1/20 0.30
MTOR P42345 1/20 0.30
HTT P42858 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
SCHEMBL30358616 0.80 HSP90AA1 (0.39) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL29353635 0.80 HSP90AA1 (0.39) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL29360166 0.80 HSP90AA1 (0.39) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL29385656 0.80 HSP90AA1 (0.39) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL352077 0.80 HSP90AA1 (0.39) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL29151853 0.76 NPC1 (0.30) HSP90AA1
SCHEMBL23896477 0.74 USP8 (0.32) LMNAMAPT
SCHEMBL11910641 0.74 USP8 (0.32) LMNAMAPT
SCHEMBL21297747 0.64 HSP90AA1 (0.43) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL29531671 0.64 ADORA2A (0.40) KDM4EGMNNLMNATP53HSP90AA1

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
CN-115611911-A Condensed cyclic compound and organic light-emitting device including the same 三星显示有限公司 2023-01-17 CN disclosed
CN-115385803-A Condensed cyclic compound and organic light-emitting device including the same 三星显示有限公司 2022-11-25 CN disclosed
CN-107540614-B Heterocyclic compound and organic light emitting device including the same 三星显示有限公司 2022-10-14 CN disclosed