SCHEMBL3352946

SCHEMBL3352946

Cn1ccc(C#Cc2ccc(-c3ccn4nccc4n3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
SCN5A Q14524 1/20 0.34
TGFBR1 P36897 3/20 0.34
OGA O60502 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 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
SCHEMBL3348904 0.81 TGFBR1 (0.46) DYRK1ASCN5ATGFBR1KMT2A
SCHEMBL3351404 0.81 DYRK1A (0.42) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL3346724 0.81 GRM5 (0.46) DYRK1A
SCHEMBL3347239 0.79 DYRK1A (0.45) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL3347287 0.78 DYRK1A (0.44) DYRK1ASCN5ATGFBR1KMT2APIK3CD
SCHEMBL3346984 0.78 DYRK1A (0.41) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL3346215 0.76 DYRK1A (0.38) DYRK1ASCN5ATGFBR1OGA
SCHEMBL3345891 0.76
SCHEMBL3346913 0.76 DYRK1A (0.42) DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL3347616 0.76 DYRK1A (0.40) DYRK1ASCN5ATGFBR1OGAPIK3CD

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 1 patent. 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 disclosed