SCHEMBL9708258

SCHEMBL9708258

CCn1c(=O)c2c(nc(C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
DPP4 P27487 1/20 0.41
BRAF P15056 1/20 0.41
PIK3CG P48736 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 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
SCHEMBL9708690 0.94 MAPT (0.42) MAPTDPP4BRAFPIK3CGALDH1A1
SCHEMBL9709012 0.93 PDE5A (0.42) ADORA3ADORA2AADORA1AGTR1AGTR2
SCHEMBL9708711 0.92 ALOX15 (0.46) MAPTDPP4BRAFLMNAALDH1A1
SCHEMBL9708813 0.91 RAB9A (0.44) MAPTDPP4BRAFPIK3CGLMNA
SCHEMBL9708614 0.91 POLB (0.46) MAPTBRAFPIK3CGLMNAALDH1A1
SCHEMBL9708840 0.90 AGTR1 (0.44) MAPTDPP4BRAFPIK3CGALDH1A1
SCHEMBL9707701 0.90 ADORA1 (0.44) ADORA3ADORA2AADORA2BADORA1AGTR1
SCHEMBL9707573 0.90 DCTPP1 (0.51) MAPTDPP4BRAFPIK3CGALDH1A1
SCHEMBL9707578 0.89 DCTPP1 (0.41) ALDH1A1KDM4EADORA3ADORA2AADORA2B
SCHEMBL9708372 0.89 AGTR1 (0.39) ADORA3ADORA2AADORA1KMT2AAGTR1

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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed