SCHEMBL4075609

SCHEMBL4075609

CC1c2ccc(C(=O)O)cc2CCN1C(=O)c1cc2ncc(Br)cn2n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.52
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ESR2 Q92731 4/20 0.49
ESR1 P03372 3/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL4075777 0.93 GRM5 (0.52) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1009257 0.90 GRM5 (0.55) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011377 0.90 GRM5 (0.51) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL4085098 0.89 GRM5 (0.45) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010643 0.88 ESR2 (0.63) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011020 0.88 ESR2 (0.57) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010456 0.86 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010975 0.86 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL29409471 0.86 GRM5 (0.59) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010886 0.86 GRM5 (0.59) 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-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed