SCHEMBL4619639

SCHEMBL4619639

Nc1ncc(C#Cc2c[c]cnc2)cn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
HSP90AA1 P07900 1/20 0.33
ADK P55263 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
SCHEMBL3244440 0.73 GRM5 (0.55) GRM5
SCHEMBL5250409 0.73 GRM5 (0.37) GRM5
SCHEMBL28089 0.72
SCHEMBL18228075 0.71 MAP4K4 (0.38) HSP90AA1
SCHEMBL3586425 0.69 GRM5 (0.36) GRM5HSP90AA1ADK
SCHEMBL28077 0.69
SCHEMBL5393293 0.68 CHRNB2 (0.33)
SCHEMBL207859 0.67
SCHEMBL1981624 0.67 FFAR1 (0.32) GRM5
SCHEMBL4717539 0.66 APP (0.64) GRM5ADK

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 4 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
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 WO disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed