SCHEMBL4564530

SCHEMBL4564530

CN1CCN(CCCS(=O)(=O)CCCN2CCN(C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 1/20 0.40
HTR7 P34969 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
TSHR P16473 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL31457403 0.91 PAOX (0.44) PAOXSIGMAR1HTR7CSNK2A2CSNK2B
SCHEMBL22014790 0.90 PAOX (0.41) PAOXSIGMAR1HTR7CSNK2A2CSNK2B
SCHEMBL13485582 0.84 PAOX (0.39) PAOXSIGMAR1HTR7USP2
SCHEMBL4352917 0.83 PAOX (0.48) PAOXSIGMAR1HTR7CSNK2A2CSNK2B
SCHEMBL3903911 0.83 PAOX (0.44) PAOXSIGMAR1HTR7CSNK2A2CSNK2B
SCHEMBL3903913 0.83 PAOX (0.44) PAOXSIGMAR1HTR7CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL6622067 0.81 PAOX (0.43) PAOXSIGMAR1HTR7CSNK2A2CSNK2B
SCHEMBL27075315 0.79 PAOX (0.44) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1
SCHEMBL18803169 0.77 PAOX (0.38) PAOXSIGMAR1HTR7USP2
SCHEMBL6663287 0.77 PAOX (0.60) PAOXSIGMAR1CSNK2A2CSNK2BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO disclosed