SCHEMBL5135595

SCHEMBL5135595

CCc1c(N(C)C)ccc(C(=O)O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.42
GABRD O14764 4/20 0.42
GABRA1 P14867 4/20 0.42
GABRB1 P18505 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
GABRB2 P47870 4/20 0.42
GABRA4 P48169 4/20 0.42
GABRE P78334 4/20 0.42
GABRA6 Q16445 4/20 0.42
GABRG1 Q8N1C3 4/20 0.42
GABRG3 Q99928 4/20 0.42
GABRQ Q9UN88 4/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.38
GAA P10253 4/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL2586587 0.84 ALDH1A1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5432825 0.81 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2927536 0.79 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5169474 0.79 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3366721 0.76 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1482745 0.76 ALDH1A1 (0.48) ALDH1A1MAPTGAATSHRTP53
SCHEMBL6905848 0.76 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5954933 0.75 PPARA (0.48) ALDH1A1MAPTMEN1KMT2APPARA
SCHEMBL2783784 0.75 PPARA (0.48) ALDH1A1MAPTMEN1KMT2APPARA
SCHEMBL14814150 0.74 ALDH1A1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 WO disclosed