SCHEMBL3345968

SCHEMBL3345968

C(#CC1CCCCC1)c1ccn2nccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.50
OGA O60502 2/20 0.50
CYP1A2 P05177 1/20 0.50
KCNH2 Q12809 1/20 0.38
DYRK1A Q13627 1/20 0.35
TRPV3 Q8NET8 1/20 0.34
BRD4 O60885 2/20 0.32
TGFBR1 P36897 2/20 0.32
SCN5A Q14524 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NAMPT P43490 1/20 0.31
KIT P10721 1/20 0.30
DDR1 Q08345 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
PRKD1 Q15139 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
SCHEMBL3346205 0.93 OGA (0.53) GRM5OGACYP1A2DYRK1ATGFBR1
SCHEMBL3347143 0.73 OGA (0.39) GRM5OGADYRK1ATGFBR1
SCHEMBL3346766 0.72 GRM5 (0.53) GRM5CYP1A2TGFBR1NPC1RAB9A
SCHEMBL3346384 0.71 GRM5 (0.43) GRM5OGACYP1A2KCNH2DYRK1A
SCHEMBL3347789 0.70 GRM5 (0.49) GRM5OGACYP1A2DYRK1ATGFBR1
SCHEMBL2717282 0.70 DYRK1A (0.44) OGADYRK1ATGFBR1SCN5A
SCHEMBL2177472 0.70 DYRK1A (0.44) OGACYP1A2DYRK1ATGFBR1SCN5A
SCHEMBL15719787 0.70 DYRK1A (0.44) OGADYRK1ATGFBR1SCN5ANAMPT
SCHEMBL3346192 0.70 GRM5 (0.47) GRM5OGADYRK1ATGFBR1SCN5A
SCHEMBL3346711 0.69 GRM5 (0.52) GRM5OGACYP1A2DYRK1ASCN5A

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