SCHEMBL8217752

SCHEMBL8217752

C=C(c1cc2ncc(Br)cn2n1)N1CCc2sccc2[C@@H]1C

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.54
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ESR2 Q92731 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 2/20 0.41
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL8221379 1.00 GRM5 (0.54) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL8223870 0.88 GRM5 (0.64) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL8214680 0.88 GRM5 (0.64) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1868540 0.88 GRM5 (0.64) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1872359 0.78 GRM5 (0.61) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1868610 0.77 GRM5 (0.63) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1868570 0.76 GRM5 (0.56) GRM5ALDH1A1HPGD
SCHEMBL1869788 0.73 GRM5 (0.58) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL3815158 0.73 GRM5 (0.43) GRM5
SCHEMBL1873246 0.73 GRM5 (0.55) GRM5ALDH1A1TDP1GAAMAPT

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
EP-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP disclosed
WO-2008015270-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed