SCHEMBL3348323

SCHEMBL3348323

CCCNC(=O)N1CC=C(C#Cc2ccn3nccc3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
OGA O60502 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK1 P23458 3/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
FGFR2 P21802 1/20 0.33
NAMPT P43490 2/20 0.33
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 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
SCHEMBL3348318 0.85 GRM5 (0.43) GRM5OGAFGFR2CDK9PCSK9
SCHEMBL3348848 0.79 GRM5 (0.66) GRM5OGAJAK1NAMPTPCSK9
SCHEMBL3345905 0.77 GRM5 (0.68) GRM5OGAMEN1KMT2ANPSR1
SCHEMBL3346711 0.68 GRM5 (0.52) GRM5OGADYRK1A
SCHEMBL3347098 0.67 DYRK1A (0.33) GRM5OGAFGFR2DYRK1A
SCHEMBL3347547 0.66 GRM5 (0.54) GRM5OGADYRK1A
SCHEMBL3346736 0.66 OGA (0.35) GRM5OGADYRK1A
SCHEMBL3350895 0.65 GRM5 (0.36) GRM5OGAFGFR2DYRK1A
SCHEMBL3347027 0.62 GRM5 (0.50) GRM5DYRK1A
SCHEMBL3347789 0.62 GRM5 (0.49) GRM5OGAMEN1KMT2ADYRK1A

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