SCHEMBL3346205

SCHEMBL3346205

C(#CC1CC1)c1ccn2nccc2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.53
GRM5 P41594 3/20 0.40
CYP1A2 P05177 1/20 0.40
DYRK1A Q13627 1/20 0.38
TGFBR1 P36897 2/20 0.34
SCN5A Q14524 1/20 0.34
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
FGFR2 P21802 1/20 0.31
PCSK9 Q8NBP7 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
SCHEMBL3345968 0.93 GRM5 (0.50) OGAGRM5CYP1A2DYRK1ATGFBR1
SCHEMBL3346766 0.75 GRM5 (0.53) GRM5CYP1A2TGFBR1
SCHEMBL3347519 0.74 GRM4 (0.46) GRM5CYP1A2DYRK1A
SCHEMBL3346384 0.74 GRM5 (0.43) OGAGRM5CYP1A2DYRK1ATGFBR1
SCHEMBL3347789 0.73 GRM5 (0.49) OGAGRM5CYP1A2DYRK1ATGFBR1
SCHEMBL3347027 0.73 GRM5 (0.50) GRM5CYP1A2DYRK1ATGFBR1
SCHEMBL2177472 0.73 DYRK1A (0.44) OGACYP1A2DYRK1ATGFBR1SCN5A
SCHEMBL15719787 0.73 DYRK1A (0.44) OGADYRK1ATGFBR1SCN5APCSK9
SCHEMBL3346192 0.73 GRM5 (0.47) OGAGRM5DYRK1ATGFBR1SCN5A
SCHEMBL3345883 0.71 DYRK1A (0.37) OGAGRM5DYRK1ATGFBR1SCN5A

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