SCHEMBL6640873

SCHEMBL6640873

CN([C]=O)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
Ampyzine SCHEMBL160265 0.75
Ampyzine SCHEMBL30627403 0.75
SCHEMBL13367380 0.75 POLB (0.55) POLBLMNATP53GAAHTT
SCHEMBL8184496 0.75 POLB (0.43) POLBLMNATP53GAAHTT
Ampyzine SCHEMBL160879 0.73 POLB (0.53) POLBLMNATP53GAAHTT
SCHEMBL2223270 0.71
SCHEMBL18226427 0.71
SCHEMBL316609 0.71 CYP2D6 (0.48) POLBLMNAHTTSMN1; SMN2KDM4E
SCHEMBL6592179 0.71 POLB (0.47) POLBLMNATP53GAAHTT
SCHEMBL9990166 0.69 POLB (0.46) POLBLMNATP53GAAHTT

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
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed