SCHEMBL925865

SCHEMBL925865

Nc1nc(N)nc(N)n1.c1ncncn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
POLB P06746 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
CASP1 P29466 1/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR2B P41595 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL25415629 0.85 HSP90AB1 (0.46) HSP90AA1ADORA2AADORA1POLBADORA3
SCHEMBL9579151 0.78 CASP1 (0.50) HSP90AA1ADORA2AADORA1POLBADORA3
SCHEMBL29876207 0.78
SCHEMBL29485005 0.78
SCHEMBL175612 0.78 CASP1 (0.50) HSP90AA1ADORA2AADORA1POLBADORA3
SCHEMBL29900242 0.78
SCHEMBL8465809 0.78 CASP1 (0.50) HSP90AA1ADORA2AADORA1POLBADORA3
SCHEMBL25853 0.78
SCHEMBL9583239 0.78 CASP1 (0.50) HSP90AA1ADORA2AADORA1POLBADORA3
SCHEMBL8356506 0.78 CASP1 (0.50) HSP90AA1ADORA2AADORA1POLBADORA3

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
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US claimed
US-8637269-B2 Method for the detection of melamine BIOO SCIENTIFIC CORPORATION (US) 2014-01-28 US disclosed
US-20110008809-A1 METHOD AND SYSTEM FOR ENZYMATIC DETECTION OF MELAMINE PERKINELMER U.S. LLC 2011-01-13 US disclosed
US-20030024618-A1 Gas-generating agent composition comprising triazine derivative DAICEL CHEMICL INDUSTRIES, LTD. (JP) 2003-02-06 US disclosed
US-6156834-A Polyacetal resin composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-12-05 US disclosed