SCHEMBL5140739

SCHEMBL5140739

N#Cc1ccc(N)nc1.N#Cc1ccc(N)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
XDH P47989 1/20 0.40
MAP4K4 O95819 1/20 0.40
CYP19A1 P11511 1/20 0.39
EGLN2 Q96KS0 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL29729202 1.00
SCHEMBL221465 1.00
SCHEMBL15156799 0.83 PIK3CD (0.59) PIK3CDMAP4K4EGLN2
SCHEMBL4480751 0.78 CYP19A1 (0.56) PIK3CDKDM4ELMNAMAP4K4CYP19A1
SCHEMBL3955808 0.77 PIK3CD (0.38) PIK3CDKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL3955805 0.77 PIK3CD (0.38) PIK3CDKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL22495356 0.76 GPR119 (0.51) KDM4EALDH1A1L3MBTL1PIK3CAMTOR
SCHEMBL2445812 0.76
SCHEMBL1146143 0.76
SCHEMBL503142 0.76

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
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed