SCHEMBL4021134

SCHEMBL4021134

Cc1nc(C#Cc2ccccn2)c[nH]1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.57
KCNH2 Q12809 2/20 0.47
CYP1A2 P05177 3/20 0.42

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
SCHEMBL8018238 0.79 GRM5 (0.49) GRM5KCNH2CYP1A2
Methyl Alcohol SCHEMBL28902013 0.77 GRM5 (0.67) GRM5KCNH2CYP1A2
SCHEMBL352291 0.77 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL981316 0.74 GRM5 (0.44) GRM5KCNH2
SCHEMBL2010490 0.72 GRM5 (0.49) GRM5
SCHEMBL2175371 0.72 GRM5 (0.41) GRM5
SCHEMBL17263780 0.71
SCHEMBL980961 0.70 GRM5 (0.55) GRM5CYP1A2
SCHEMBL10774788 0.69 KDM4E (0.54) CYP1A2
SCHEMBL1696992 0.69 GRM5 (0.58) GRM5KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed