SCHEMBL27647142

SCHEMBL27647142

O=Cc1ncc2ccnc-2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.33
NPY5R Q15761 2/20 0.33
BTK Q06187 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
PIN1 Q13526 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
SCHEMBL313808 0.69 MASP2 (0.44) HPGDSNPY5R
SCHEMBL9026285 0.69 CYP2A6 (0.43) HPGDSNPY5R
SCHEMBL29207565 0.69 CCR1 (0.31) BTKCCR1CCR5CCR8
SCHEMBL30179265 0.69 CCR1 (0.31) BTKCCR1CCR5CCR8
SCHEMBL8816338 0.68 PIN1 (0.43) HPGDSNPY5RPIN1
SCHEMBL5971051 0.67
SCHEMBL3457185 0.66
SCHEMBL28175769 0.65 GSK3B (0.36) HPGDSNPY5R
SCHEMBL5820674 0.65 HPGDS (0.33) HPGDSNPY5R
SCHEMBL27992258 0.65 SCN2A (0.55) HPGDSNPY5R

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
CN-1780922-A Compositions and methods for the treatment of severe acute respiratory syndrome (SARS) ISIS PHARMACEUTICALS INC (US) 2006-05-31 CN disclosed