SCHEMBL6584030

SCHEMBL6584030

Nc1nc(Cl)nc(-c2cccc(Cl)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
RAB9A P51151 3/20 0.51
ADORA2A P29274 5/20 0.51
ADORA1 P30542 5/20 0.51
ADORA2B P29275 3/20 0.51
MAP4K4 O95819 2/20 0.50
DHFR P00374 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL9566496 0.91 RAB9A (0.61) HRH4RAB9AADORA2AADORA1ADORA2B
SCHEMBL25203716 0.87 IDO1 (0.52) HRH4RAB9ADHFRNPC1DPP4
SCHEMBL30476538 0.87 IDO1 (0.52) HRH4RAB9ADHFRNPC1DPP4
SCHEMBL17416252 0.87 IDO1 (0.52) HRH4RAB9ADHFRNPC1DPP4
SCHEMBL27795616 0.83 RAB9A (0.49) HRH4RAB9AADORA2AADORA1ADORA2B
SCHEMBL20565978 0.81 NR1I3 (0.53) HRH4RAB9AADORA2AADORA1NPC1
SCHEMBL29664448 0.81 NR1I3 (0.53) HRH4RAB9AADORA2AADORA1NPC1
SCHEMBL30205277 0.81 ADORA2A (0.72) HRH4RAB9AADORA2AADORA1ADORA2B
SCHEMBL2250601 0.81 ADORA2A (0.72) HRH4RAB9AADORA2AADORA1ADORA2B
SCHEMBL10589866 0.80 IDO1 (0.57) HRH4RAB9ADHFRNPC1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
EP-1385833-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS Amgen Inc. (US) 2004-02-04 EP disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed
US-4333933-A ANTIINFLAMMATORY, REACTING HALO BENZOGUANAMINE WITH NICOTINE ACID DERIVAGIVE NIPPON SHINYAKU CO., LTD. (JP) 1982-06-08 US disclosed