SCHEMBL3346922

SCHEMBL3346922

Fc1cc(C#Cc2ccn3nccc3n2)cc(-c2cccnc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.39
TGFBR1 P36897 3/20 0.38
DYRK1A Q13627 1/20 0.33
CYP11B2 P19099 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 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
SCHEMBL3347568 0.87 GRM5 (0.38) GRM5TGFBR1
SCHEMBL3347598 0.82 GRM5 (0.58) GRM5DYRK1ACYP11B2
SCHEMBL3351280 0.82 GRM5 (0.47) GRM5DYRK1A
SCHEMBL3347563 0.78 GRM5 (0.36) GRM5DYRK1A
SCHEMBL3347295 0.76 GRM5 (0.48) GRM5DYRK1A
SCHEMBL3348828 0.76 TGFBR1 (0.39) GRM5TGFBR1DYRK1A
SCHEMBL3346603 0.74 GRM5 (0.41) GRM5TGFBR1DYRK1A
SCHEMBL3351358 0.74 CYP11B2 (0.40) GRM5CYP11B2CSNK1A1CSNK1DGSK3B
SCHEMBL3347498 0.71 GRM5 (0.41) GRM5
SCHEMBL3347519 0.70 GRM4 (0.46) GRM5DYRK1A

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