SCHEMBL4060269

SCHEMBL4060269

Cc1cc(Oc2ccc(Cl)cc2C)ncc1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.42
DCK P27707 1/20 0.41
UHRF1 Q96T88 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4061973 0.82 KDM4E (0.60) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL21572358 0.79 KMT2A (0.48) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL21572388 0.78 CYP1A2 (0.50) CYP1A2CYP2C19L3MBTL1POLBUHRF1
SCHEMBL30466097 0.76 KDM4E (0.52) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL4068452 0.76 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL25279294 0.76 KDM4E (0.52) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL4062644 0.76 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL807773 0.74 SLC6A2 (0.59) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4
SCHEMBL18331405 0.74 MEN1 (0.60) UHRF1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4061661 0.74 CYP1A2 (0.52) CYP3A4CYP1A2CYP2C19SLC6A2SLC6A4

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed