SCHEMBL1010388

SCHEMBL1010388

COC(=O)Oc1ccc2c(c1)CCN(C(=O)c1cc3ncc(Br)cn3n1)C2C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.50
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ESR2 Q92731 4/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ESR1 P03372 3/20 0.44
POLB P06746 3/20 0.44
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1011576 0.93 GRM5 (0.52) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1008249 0.91 GRM5 (0.55) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL12952496 0.88 GRM5 (0.49) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1009257 0.86 GRM5 (0.55) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011377 0.86 GRM5 (0.51) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1010416 0.84 GRM5 (0.57) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011172 0.84 GRM5 (0.47) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1011020 0.84 ESR2 (0.57) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL1009684 0.83 GRM5 (0.50) GRM5ALDH1A1TDP1GAAMAPT
SCHEMBL4075609 0.83 GRM5 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP claimed