SCHEMBL8995826

SCHEMBL8995826

Nc1nc(-c2cccc(F)c2)c(Br)c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.68
PIK3CG P48736 1/20 0.44
ADORA2A P29274 3/20 0.43
TYMS P04818 3/20 0.42
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
Bropirimine SCHEMBL509127 0.82 XDH (1.00) XDHKDM4EMEN1MAPTKMT2A
SCHEMBL1555448 0.79 XDH (0.59) XDHPIK3CGADORA2ATYMSADORA1
SCHEMBL29416781 0.77 XDH (0.52) XDHTYMS
SCHEMBL18748036 0.74 ADORA2A (0.57) ADORA2AADORA1ADORA2BDPP4KDM4E
SCHEMBL10843906 0.73 BACE1 (0.48) ADORA2AADORA1ADORA2BDPP4KDM4E
SCHEMBL5189442 0.72 XDH (0.48) XDHADORA2AADORA1ADORA2BKMT2A
SCHEMBL7776236 0.71 ADORA2A (0.55) PIK3CGADORA2AADORA1ADORA2BDPP4
SCHEMBL10569841 0.69 XDH (1.00) XDHTYMSKDM4EMEN1MAPT
SCHEMBL29736870 0.69 TYMS (0.50) XDHTYMS
SCHEMBL17667854 0.68 ADORA2A (0.62) ADORA2AADORA1ADORA2BDPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4308272-A HALO-SUBSTITUTED 2-AMINOPYRIMIDINONES THE UPJOHN COMPANY (US) 1981-12-29 US claimed
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
US-4308272-A HALO-SUBSTITUTED 2-AMINOPYRIMIDINONES THE UPJOHN COMPANY (US) 1981-12-29 US disclosed