SCHEMBL3346211

SCHEMBL3346211

C(#Cc1ccc(-c2ccn3nccc3n2)s1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
GRM5 P41594 8/20 0.40
CYP2A6 P11509 6/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 3/20 0.35
CYP2B6 P20813 3/20 0.35
CYP2C19 P33261 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SCN5A Q14524 1/20 0.35
TGFBR1 P36897 3/20 0.35
CYP2E1 P05181 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C8 P10632 1/20 0.33

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
SCHEMBL3347239 0.88 DYRK1A (0.45) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3346913 0.81 DYRK1A (0.42) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3347324 0.81 DYRK1A (0.42) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3347271 0.81 DYRK1A (0.42) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3346476 0.81 DYRK1A (0.41) DYRK1AGRM5CYP2A6SCN5ATGFBR1
SCHEMBL3347287 0.79 DYRK1A (0.44) DYRK1AGRM5SCN5ATGFBR1
SCHEMBL3351404 0.77 DYRK1A (0.42) DYRK1AGRM5CYP1A2SCN5ATGFBR1
SCHEMBL3346724 0.77 GRM5 (0.46) DYRK1AGRM5CYP2D6CYP1A2
SCHEMBL3345958 0.77 GRM5 (0.52) GRM5CYP2A6CYP2D6CYP1A2CYP2C9
SCHEMBL3346973 0.76 DYRK1A (0.41) DYRK1AGRM5SCN5ATGFBR1

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