SCHEMBL6598308

SCHEMBL6598308

CCc1ncc(C(C)=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2B P29275 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL13114028 0.85 ALOX15 (0.57) ALOX15LMNAALDH1A1NPSR1HRH3
SCHEMBL14038235 0.85 ALOX15 (0.55) ALOX15LMNAALDH1A1NPSR1TSHR
SCHEMBL3625293 0.77 ALOX15 (0.38) ALOX15LMNAALDH1A1NPSR1
SCHEMBL6594995 0.74 ALDH1A1 (0.46) ALOX15LMNAALDH1A1NPSR1CYP2C19
SCHEMBL13114031 0.73 SMN1; SMN2 (0.46) LMNAALDH1A1NPSR1HRH3CYP2C19
SCHEMBL13114037 0.72 HTT (0.30) ALOX15LMNAALDH1A1NPSR1
SCHEMBL4021051 0.72 ALOX15 (0.44) ALOX15LMNAALDH1A1NPSR1
SCHEMBL4026799 0.72 NOTUM (0.37) ALOX15LMNAALDH1A1NPSR1
SCHEMBL8654020 0.70 ALOX15 (0.57) ALOX15LMNAALDH1A1NPSR1TSHR
SCHEMBL5399969 0.69 HTT (0.39) ALOX15LMNAALDH1A1NPSR1TSHR

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
CN-1269813-C Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (SE) 2006-08-16 CN disclosed
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed