SCHEMBL3403141

SCHEMBL3403141

CN(C)CC(=C=O)c1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.43
LOXL2 Q9Y4K0 1/20 0.38
NSD2 O96028 1/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
NCF1 P14598 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL3605168 0.72 FFAR1 (0.34) ALDH1A1
SCHEMBL8568156 0.72 PREP (0.47) PREPNSD2HTR2CHTR2BNCF1
SCHEMBL28905179 0.72 OPRD1 (0.47) PREPHTR2CHTR2BALDH1A1LMNA
SCHEMBL5663965 0.71 ALDH1A1 (0.46) ALDH1A1LMNA
SCHEMBL1651982 0.71 LMNA (0.47) CYP1A2ALDH1A1LMNAHPGDRXFP1
SCHEMBL1555035 0.70 P2RX7 (0.35) ALDH1A1
SCHEMBL28879949 0.70 NCF1 (0.47) LOXL2NSD2HTR2CHTR2BNCF1
SCHEMBL827639 0.70 MEN1 (0.47) LOXL2NSD2NCF1HDAC3HDAC4
SCHEMBL10390839 0.69 AKR1B10 (0.46) PREPLOXL2NSD2HTR2CHTR2B
SCHEMBL6808375 0.69 NSD2 (0.46) PREPLOXL2NSD2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247584-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed
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