SCHEMBL3346494

SCHEMBL3346494

FCc1nc(C#Cc2ccc(-c3ccn4nccc4n3)s2)cs1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
SCN5A Q14524 1/20 0.34
TGFBR1 P36897 3/20 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
SCHEMBL3346724 0.84 GRM5 (0.46) DYRK1A
SCHEMBL3346215 0.82 DYRK1A (0.38) DYRK1ASCN5ATGFBR1
SCHEMBL3351404 0.78 DYRK1A (0.42) DYRK1ASCN5ATGFBR1
SCHEMBL3347287 0.77 DYRK1A (0.44) DYRK1ASCN5ATGFBR1
SCHEMBL3347351 0.76 SCN5A (0.31) SCN5A
SCHEMBL3347810 0.76
SCHEMBL3347239 0.76 DYRK1A (0.45) DYRK1ASCN5ATGFBR1
SCHEMBL3352946 0.76 DYRK1A (0.40) DYRK1ASCN5ATGFBR1
SCHEMBL3348904 0.76 TGFBR1 (0.46) DYRK1ASCN5ATGFBR1
SCHEMBL3347616 0.75 DYRK1A (0.40) DYRK1ASCN5ATGFBR1

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