SCHEMBL9301075

SCHEMBL9301075

COc1nc2ncn(CC(C)(C)O)c2c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TLR7 Q9NYK1 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ADORA2B P29275 6/20 0.35
LMNA P02545 2/20 0.35
RXFP1 Q9HBX9 2/20 0.34
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
ALOX15 P16050 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL31646363 0.76 ADORA2B (0.45) GAAADORA2BLMNAPDE4AADORA2A
SCHEMBL9300704 0.69 LMNA (0.57) ADORA2BLMNAADORA2AMAPT
SCHEMBL9308527 0.65 ADORA2B (0.45) GAAADORA2BLMNAPDE4AADORA2A
SCHEMBL10346501 0.64 MAPK1 (0.57) GAASMN1; SMN2ADORA2BLMNAPDE4A
SCHEMBL10346304 0.62 LMNA (0.56) SMN1; SMN2ADORA2BLMNARXFP1PDE4A
SCHEMBL9301475 0.60 ATAD2 (0.46) ADORA2BLMNAPDE4AADORA2APDE4B
SCHEMBL25165800 0.60 TRPA1 (0.48) GAASMN1; SMN2ADORA2BLMNAPDE4A
SCHEMBL15724891 0.59 ADORA2B (0.66) SMN1; SMN2ADORA2BLMNARXFP1ADORA2A
SCHEMBL23718338 0.59 PDE4A (0.44) ADORA2BLMNARXFP1PDE4AADORA2A
SCHEMBL28456121 0.59 KMT2A (0.60) SMN1; SMN2RXFP1

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
US-5314890-A Treatment of asthma MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 1994-05-24 US disclosed