SCHEMBL5250409

SCHEMBL5250409

Nc1ncc(C#Cc2c[c]ccc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.37
LCK P06239 2/20 0.34
TEK Q02763 2/20 0.34
GRM4 Q14833 1/20 0.34
MAPT P10636 1/20 0.31
MAP4K4 O95819 1/20 0.31
KDR P35968 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
SCHEMBL5248785 0.82 GRM5 (0.37) GRM5
SCHEMBL5282164 0.79 ADK (0.38) MAP4K4
SCHEMBL403731 0.77 GRM5 (0.61) GRM5GRM4MAPT
SCHEMBL5492434 0.76 MAPT (0.59) GRM4MAPT
SCHEMBL2188836 0.74 APP (0.57) GRM5MAPT
SCHEMBL6293395 0.73 CYP2A6 (0.50) GRM5
SCHEMBL4619639 0.73 GRM5 (0.34) GRM5
SCHEMBL2182062 0.72 MAP4K4 (0.50) MAPTMAP4K4
SCHEMBL3572562 0.70 MAP4K4 (0.53) GRM5LCKTEKMAP4K4KDR
SCHEMBL5496752 0.69 TSHR (0.46) MAPT

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-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed