SCHEMBL5763247

SCHEMBL5763247

Cc1cnccc1C(=C=O)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
SIRT3 Q9NTG7 1/20 0.37
NOTUM Q6P988 2/20 0.35
KDM4C Q9H3R0 8/20 0.32
KDM6B O15054 5/20 0.32
KDM4E B2RXH2 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4D Q6B0I6 2/20 0.32
KDM5C P41229 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TACR1 P25103 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL5774143 0.75 HTT (0.40) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL847542 0.73 ALDH1A1 (0.44) TDP1SIRT3KDM4EALDH1A1GAA
SCHEMBL3605168 0.73 FFAR1 (0.34) ALDH1A1MAPTL3MBTL1
SCHEMBL4713935 0.71 KDM4E (0.43) TDP1KDM4EALDH1A1GAAMEN1
SCHEMBL3403141 0.69 PREP (0.43) ALDH1A1CYP1A2CYP3A4
SCHEMBL1651982 0.68 LMNA (0.47) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4710599 0.67
SCHEMBL1652097 0.67 HDAC1 (0.44) KDM4EALDH1A1MAPTKMT2A
SCHEMBL1885868 0.66 TDP1 (0.52) TDP1SIRT3KDM4CKDM6BKDM4E
SCHEMBL30281300 0.66 KDM4C (0.59) TDP1SIRT3KDM4CKDM6BKDM4E

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-1725101-A1 2-PYRIDINYL [7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A] PYRIMIDIN-3-YL] METHANONES DOV Pharmaceutical Inc. (US) 2006-11-29 EP disclosed
WO-2005084439-A1 2-PYRIDINYL[7-(SUBSTITUTED-PYRIDIN-4-YL) PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]METHANONES DOV PHARMACEUTICAL, INC. (US) 2005-09-15 WO disclosed