SCHEMBL9708010

SCHEMBL9708010

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
USP1 O94782 3/20 0.40
DPP4 P27487 1/20 0.40
BRAF P15056 1/20 0.39
PIK3CG P48736 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL9708648 0.94 ADORA1 (0.42) MAPTRAB9AUSP1DPP4BRAF
SCHEMBL9708826 0.93 HPGD (0.41) USP1
SCHEMBL9708350 0.92 ADORA3 (0.43) ADORA3ADORA2AADORA2BADORA1
SCHEMBL9707347 0.92 RAB9A (0.44) MAPTRAB9AUSP1DPP4BRAF
SCHEMBL9707977 0.92 ALDH1A1 (0.44) MAPTDPP4MEN1POLBKMT2A
SCHEMBL9708609 0.91 POLB (0.44) MAPTRAB9ABRAFPIK3CGADORA3
SCHEMBL9707864 0.90 DCTPP1 (0.46) RAB9AUSP1DPP4MEN1KMT2A
SCHEMBL9707843 0.90 ADORA1 (0.42) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL9708431 0.90 ADORA1 (0.40) ADORA3ADORA2AADORA2BADORA1
SCHEMBL9708215 0.90 ADORA3 (0.42) MAPTRAB9AUSP1DPP4BRAF

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