SCHEMBL3346207

SCHEMBL3346207

Fc1cccc(C#CCc2ccn3nccc3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.36
SLC6A2 P23975 1/20 0.36
DYRK1A Q13627 1/20 0.35
ADORA2B P29275 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3348887 0.88 GRM5 (0.38) GRM5SLC6A2DYRK1AADORA2BCA12
SCHEMBL3346845 0.85 DYRK1A (0.40) DYRK1ARAB9A
SCHEMBL3346390 0.84 DYRK1A (0.36) GRM5DYRK1ANPC1HPGDTSHR
SCHEMBL3346361 0.82 GRM5 (0.41) GRM5ADORA2BCA12CA1CA2
SCHEMBL3346741 0.80 ADORA2B (0.42) GRM5SLC6A2DYRK1AADORA2BCHRM2
SCHEMBL3347295 0.79 GRM5 (0.48) GRM5SLC6A2DYRK1ACA12CA1
SCHEMBL3348360 0.78 GRM5 (0.44) GRM5MEN1NPC1ALDH1A1TSHR
SCHEMBL3348379 0.76 CYP11B1 (0.38) DYRK1AMEN1NPC1ALDH1A1TSHR
SCHEMBL3346526 0.73 GRM5 (0.37) GRM5DYRK1ACHRM2CHRM1
SCHEMBL3346840 0.73 GRM5 (0.36) GRM5DYRK1AADORA2BSMN1; SMN2

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