Benzene

Benzene

SCHEMBL28784168

Cn1nc(-c2cccc(F)c2)c(N)c1N.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA1 P30542 4/20 0.43
ADORA2B P29275 2/20 0.43
DPP4 P27487 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.41
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL23557987 0.84 ADORA2A (0.49) ADORA2AADORA1ADORA2BDPP4TAAR1
SCHEMBL33804 0.81 MAPT (0.55) MAPTMAPK14POLBPIK3CDPIK3CA
Hydrochloric Acid SCHEMBL6259439 0.80 MAPT (0.53) MAPTMAPK14POLBPIK3CDPIK3CA
SCHEMBL1799990 0.79 ADORA2A (0.48) ADORA2AADORA1MAPTPOLBKDM4E
Benzene SCHEMBL27762704 0.79 NPC1 (0.50) ADORA2AADORA1ADORA2BDPP4TAAR1
Benzene SCHEMBL27762724 0.76 ADORA1 (0.49) ADORA2AADORA1ADORA2BDPP4MAPT
SCHEMBL31632811 0.74 ADORA2A (0.42) ADORA2AADORA1ADORA2BDPP4TAAR1
SCHEMBL15428594 0.73 ADCY10 (0.44) ADORA2AADORA1ADORA2BDPP4TAAR1
SCHEMBL14075005 0.73 ADORA2A (0.41) ADORA2AADORA1ADORA2BDPP4TAAR1
SCHEMBL13198213 0.73 ADORA2A (0.41) ADORA2AADORA1ADORA2BDPP4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553489-A 4-amino-3-arylamino-6-arylpyrazolo[3,4-d]pyrimidine derivatives, methods for their preparation and their use as antiviral agents DRITTE PATENTPORTFOLIO BETEILI (DE) 2009-10-07 CN claimed
CN-101553489-B 4-amino-3-arylamino-6-arylpyrazolo[3,4-d]pyrimidine derivatives, methods for their preparation and their use as antiviral agents DRITTE PATENTPORTFOLIO BETEILI 2013-07-17 CN disclosed
CN-101553489-A 4-amino-3-arylamino-6-arylpyrazolo[3,4-d]pyrimidine derivatives, methods for their preparation and their use as antiviral agents DRITTE PATENTPORTFOLIO BETEILI (DE) 2009-10-07 CN disclosed