SCHEMBL13298024

SCHEMBL13298024

Clc1cc(-c2ccncc2)nc2cc(C3CC3)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 5/20 0.33
HTT P42858 2/20 0.33
MKNK2 Q9HBH9 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
KDR P35968 1/20 0.33
LATS1 O95835 3/20 0.32
LATS2 Q9NRM7 2/20 0.32
CDC7 O00311 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL3299072 0.87 KDM4E (0.45) NPC1RAB9AKDM4EHTTALDH1A1
SCHEMBL13298029 0.84 LMNA (0.42) DYRK1ALMNADYRK3CDK2CDK5
SCHEMBL13298034 0.78 CCR1 (0.45) NPC1RAB9AKDM4EHTTALDH1A1
SCHEMBL13298076 0.78 LMNA (0.33) LMNACDK2FYNHSD17B10
SCHEMBL13298018 0.78 TP53 (0.52) DYRK1ANPC1RAB9AKDM4EHTT
SCHEMBL5052617 0.77 PDE10A (0.43) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL13317331 0.75 GAA (0.32) KDM4EALDH1A1HPGDFYNMAPT
SCHEMBL1019767 0.75 PIK3CG (0.33) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL5056012 0.75 RAB9A (0.44) NPC1RAB9AKDM4EHTTALDH1A1
SCHEMBL13298036 0.75 NPC1 (0.35) NPC1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 EP disclosed