SCHEMBL10732016

SCHEMBL10732016

Cc1cnc(NCCCN)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 15/20 0.47
STK17B O94768 3/20 0.44
SYK P43405 3/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
AURKA O14965 1/20 0.39
JAK1 P23458 1/20 0.39
KDR P35968 1/20 0.39
KCNH2 Q12809 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL10365100 0.83 STK17A (0.51) STK17ASTK17BSYK
SCHEMBL10731426 0.83 STK17A (0.51) STK17ASTK17BSYK
SCHEMBL10367439 0.83 STK17A (0.51) STK17ASTK17B
SCHEMBL18257289 0.80 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL10367108 0.79 STK17A (0.47) STK17ASTK17BSYKAURKAJAK1
SCHEMBL10732356 0.79 STK17A (0.48) STK17ASTK17BSYKAURKAJAK1
SCHEMBL10733600 0.77 KAT2B (0.58) STK17ASTK17B
SCHEMBL15945540 0.76 NOS3 (0.37) NOS3NOS1NOS2JAK1
SCHEMBL21365185 0.76 STK17A (0.47) STK17ASTK17B
SCHEMBL10738299 0.72 STK17A (0.49) STK17ASTK17BAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112707-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H1-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-04 EP disclosed
US-4652650-A Pyridylaminoalkylamine intermediates SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-24 US disclosed
US-4548940-A Pyridylaminoalkylaminopyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-22 US disclosed
EP-0112707-A2 Aminopyrimidinone derivatives as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed