SCHEMBL3347664

SCHEMBL3347664

Cc1cc2nc(CCC#Cc3ccsc3)ccn2n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3345928 0.83 GRM5 (0.36) GRM5KDM4EALDH1A1MAPK1HTT
SCHEMBL3347641 0.81 GRM5 (0.38) GRM5KDM4EALDH1A1MAPK1HTT
SCHEMBL3347283 0.80 CYP2A6 (0.36) GRM5
SCHEMBL3345855 0.80 KDM4E (0.33) KDM4EALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3345927 0.80 GRM5 (0.36) GRM5
SCHEMBL3347231 0.80 GRM5 (0.35) GRM5KDM4EALDH1A1MAPK1HTT
SCHEMBL3345594 0.79 GRM5 (0.40) GRM5KDM4EALDH1A1MAPK1HTT
SCHEMBL3346940 0.79 GRM5 (0.42) GRM5KDM4EALDH1A1MAPK1HTT
SCHEMBL3347306 0.79 CHRNB2 (0.44) GRM5
SCHEMBL3348419 0.79 GRM5 (0.36) GRM5KDM4EALDH1A1MAPK1HTT

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed