SCHEMBL3346897

SCHEMBL3346897

CC(O)(C#Cc1ccn2nccc2n1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.39
KMT2A Q03164 1/20 0.38
OGA O60502 1/20 0.35
MAP3K14 Q99558 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
DYRK1A Q13627 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
SCN5A Q14524 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TNIK Q9UKE5 1/20 0.32
TGFBR1 P36897 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3346551 0.86 DYRK1A (0.35) KMT2AOGADYRK1APCSK9SCN5A
SCHEMBL3347627 0.85 OGA (0.38) FLT4OGADYRK1APCSK9SCN5A
SCHEMBL29090207 0.71 GRM5 (0.44) FLT4KMT2ANPSR1
SCHEMBL29090196 0.71 GRM5 (0.44) FLT4KMT2ANPSR1
SCHEMBL3346885 0.71 OGA (0.38) OGADYRK1APCSK9SCN5ATGFBR1
SCHEMBL3345883 0.71 DYRK1A (0.37) OGADYRK1ASCN5ATGFBR1
SCHEMBL3347276 0.70 DYRK1A (0.35) OGADYRK1APCSK9SCN5ATGFBR1
SCHEMBL3346192 0.70 GRM5 (0.47) OGADYRK1ASCN5ATGFBR1TSHR
SCHEMBL3346766 0.69 GRM5 (0.53) KMT2ATGFBR1CYP3A4CYP2C19
SCHEMBL3346384 0.68 GRM5 (0.43) KMT2AOGADYRK1ATGFBR1CYP3A4

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