SCHEMBL3348818

SCHEMBL3348818

C(#Cc1cccs1)c1ccn2nccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
DYRK1A Q13627 1/20 0.36
OGA O60502 1/20 0.35
SCN5A Q14524 1/20 0.33
PIM1 P11309 2/20 0.31
PIM3 Q86V86 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
FFAR1 O14842 1/20 0.31
TGFBR1 P36897 1/20 0.30
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
RET P07949 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30
FLT3 P36888 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
SCHEMBL3347287 0.80 DYRK1A (0.44) GRM5DYRK1ASCN5APIM1PIM3
SCHEMBL3347789 0.77 GRM5 (0.49) GRM5DYRK1AOGASCN5ATGFBR1
SCHEMBL3346563 0.76 CYP2A6 (0.45) DYRK1AOGASCN5AFFAR1TGFBR1
SCHEMBL3347609 0.76 GRM5 (0.33) GRM5DYRK1A
SCHEMBL3346767 0.75 GRM5 (0.46) GRM5DYRK1AOGASCN5A
SCHEMBL3347519 0.75 GRM4 (0.46) GRM5DYRK1A
SCHEMBL3348444 0.75 CHRM2 (0.35) GRM5DYRK1ASCN5A
SCHEMBL3347027 0.74 GRM5 (0.50) GRM5DYRK1ATGFBR1
SCHEMBL3346766 0.73 GRM5 (0.53) GRM5TGFBR1
SCHEMBL3346384 0.72 GRM5 (0.43) GRM5DYRK1AOGATGFBR1KDR

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