SCHEMBL9708614

SCHEMBL9708614

Cc1nc2c(c(=O)n(CCc3ccccc3)c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 6/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 3/20 0.45
ALOX15 P16050 2/20 0.45
BRAF P15056 1/20 0.43
PIK3CG P48736 1/20 0.43
HTT P42858 4/20 0.43
TSHR P16473 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
TP53 P04637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL9708836 0.93 HPGD (0.47) LMNAMAPTALDH1A1NPSR1MAPK1
SCHEMBL9708336 0.92 ADORA3 (0.46) ADORA3ADORA2B
SCHEMBL9707551 0.92 ADORA3 (0.46) ADORA3ADORA2B
SCHEMBL9708690 0.91 MAPT (0.42) MAPTALDH1A1BRAFPIK3CGADORA3
SCHEMBL9707873 0.91 AGTR1 (0.39) POLBHIF1ATSHRMEN1KMT2A
SCHEMBL9707701 0.91 ADORA1 (0.44) ADORA3ADORA2B
SCHEMBL9708258 0.91 MAPT (0.43) POLBHIF1ALMNAMAPTALDH1A1
SCHEMBL9708275 0.90 TSHR (0.46) POLBHIF1ALMNAMAPTALDH1A1
SCHEMBL9707691 0.90 ADORA3 (0.42) ADORA3ADORA2B
SCHEMBL9708711 0.89 ALOX15 (0.46) POLBHIF1ALMNAMAPTALDH1A1

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