SCHEMBL4619271

SCHEMBL4619271

Nc1cncc(C#Cc2ncccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.40
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
DDO Q99489 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
DYRK1B Q9Y463 2/20 0.31
ASIC3 Q9UHC3 1/20 0.31
DYRK1A Q13627 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
SCHEMBL3586425 0.77 GRM5 (0.36) GRM5KDM4EMEN1ALDH1A1LMNA
SCHEMBL1476965 0.77 GRM5 (0.55) GRM5KDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL1477130 0.76 GRM5 (0.53) GRM5KDM4EMEN1ALDH1A1KMT2A
SCHEMBL31139969 0.76 ASIC3 (0.49) ASIC3
SCHEMBL13379567 0.74 GRM5 (0.43) GRM5ASIC3
SCHEMBL13989092 0.74 GRM5 (0.70) GRM5DYRK1A
Hydrochloric Acid SCHEMBL4865093 0.73 GRM5 (0.68) GRM5DYRK1A
SCHEMBL1476753 0.70 GRM5 (0.47) GRM5
SCHEMBL15870986 0.69 HDAC8 (0.39) GRM5KDM4EMEN1ALDH1A1LMNA
SCHEMBL503839 0.69 KDM4E (0.34) GRM5KDM4EMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 WO disclosed