SCHEMBL3346984

SCHEMBL3346984

Cc1ccccc1C#Cc1ccc(-c2ccn3nccc3n2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
TGFBR1 P36897 3/20 0.37
GRM5 P41594 1/20 0.36
SCN5A Q14524 1/20 0.35
IKBKB O14920 1/20 0.32
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL3347011 0.86 DYRK1A (0.41) DYRK1ATGFBR1GRM5SCN5AIKBKB
SCHEMBL3346973 0.86 DYRK1A (0.41) DYRK1ATGFBR1GRM5SCN5AIKBKB
SCHEMBL3347239 0.83 DYRK1A (0.45) DYRK1ATGFBR1GRM5SCN5APIK3CD
SCHEMBL3347616 0.81 DYRK1A (0.40) DYRK1ATGFBR1SCN5APIK3CDKDM4E
SCHEMBL3348904 0.80 TGFBR1 (0.46) DYRK1ATGFBR1GRM5SCN5AKDM4E
SCHEMBL3351404 0.80 DYRK1A (0.42) DYRK1ATGFBR1GRM5SCN5APIK3CD
SCHEMBL3346724 0.79 GRM5 (0.46) DYRK1AGRM5
SCHEMBL3346913 0.79 DYRK1A (0.42) DYRK1ATGFBR1GRM5SCN5APIK3CD
SCHEMBL3347287 0.79 DYRK1A (0.44) DYRK1ATGFBR1GRM5SCN5APIK3CD
SCHEMBL3352946 0.78 DYRK1A (0.40) DYRK1ATGFBR1SCN5APIK3CD

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