SCHEMBL8995811

SCHEMBL8995811

Nc1nc(O)c(I)c(-c2ccco2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.53
ADORA1 P30542 11/20 0.50
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 3/20 0.48
ALOX15 P16050 3/20 0.48
CASP1 P29466 3/20 0.48
BLM P54132 3/20 0.48
CASP7 P55210 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
PTPN7 P35236 2/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL8995779 0.81 ADORA2A (0.54) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL7151566 0.81 ADORA2A (0.54) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL23355745 0.81 ADORA2A (0.53) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL7144404 0.77 ADORA2A (0.49) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL7149513 0.77 ADORA2A (0.49) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL13322066 0.76 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL7149570 0.75 ADORA2A (0.47) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL1553903 0.74 ADORA2A (0.60) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL7152569 0.74 ADORA2A (0.46) ADORA2AADORA1MEN1ALDH1A1POLB
SCHEMBL7150942 0.74 ADORA2A (0.46) ADORA2AADORA1MEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554617-A Method for treating cancer with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1996-09-10 US disclosed
US-5434157-A Active against herpes, hepatitis, papovavirus THE UPJOHN COMPANY (US) 1995-07-18 US disclosed
US-5002951-A 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent THE UPJOHN COMPANY (US) 1991-03-26 US disclosed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US disclosed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US disclosed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US disclosed
US-4507302-A Method for treating arthritis with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-03-26 US disclosed