SCHEMBL7617554

SCHEMBL7617554

Cn1cnc2nc(N)nc(O)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
HRH4 Q9H3N8 1/20 0.33
ADORA2A P29274 5/20 0.32
ADORA1 P30542 4/20 0.32
DPP4 P27487 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
PIK3CD O00329 1/20 0.30
POLB P06746 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
ADORA2B P29275 1/20 0.30
NTSR1 P30989 1/20 0.30
MC3R P41968 1/20 0.30
NOTUM Q6P988 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30
GDA Q9Y2T3 1/20 0.30

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
7-Methylxanthine SCHEMBL7100940 0.81 GDA (0.32) ADORA2AADORA1PIK3CDPOLBADORA3
SCHEMBL27736501 0.79 CDK2 (0.31) CDK2ADORA2A
SCHEMBL12311046 0.78 ADORA2A (0.46) CDK1CCNB1CCNE1CDK2HRH4
SCHEMBL1260282 0.78 CDK1 (0.34) CDK1CCNB1CCNE1CDK2HRH4
SCHEMBL29551511 0.78 CDK1 (0.34) CDK1CCNB1CCNE1CDK2HRH4
SCHEMBL12283253 0.74 CDK1 (0.35) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL27757061 0.74 ADORA2A (0.33) ADORA2AADORA1
SCHEMBL2414858 0.71 ADORA2A (0.40) ADORA2AADORA1DPP4PIK3CDPOLB
9-Methylguanine SCHEMBL2787045 0.70 CDK1 (0.59) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL12261690 0.67 CDK1 (0.35) CDK1ADORA2AADORA1PIK3CDPOLB

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-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
US-5773424-A PARASITICIDE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-30 US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 WO disclosed
WO-1990006312-A1 2',3'-DIDEOXYRIBOFURANOSIDES AND PROCESS FOR PRODUCING THEM INSTITUT FÜR MOLEKULARBIOLOGIE UND ANALYTIK (IMA) GMBH (DE) 1990-06-14 WO disclosed