SCHEMBL5134732

SCHEMBL5134732

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)O)C2)nc1C(C)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 15/20 0.54
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
ACACB O00763 1/20 0.49

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
SCHEMBL3586329 0.94 P2RY12 (0.54) P2RY12ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL4871507 0.93 P2RY12 (0.55) P2RY12ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5014112 0.87 P2RY12 (0.63) P2RY12KDM4ECYP3A4CYP2C9
SCHEMBL3221673 0.86 P2RY12 (0.69) P2RY12KDM4ECYP3A4CYP2C9
SCHEMBL3585012 0.85 P2RY12 (0.55) P2RY12ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL3584927 0.85 P2RY12 (0.51) P2RY12ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL4740960 0.85 P2RY12 (0.57) P2RY12ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL3585342 0.84 P2RY12 (0.56) P2RY12ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL3586010 0.84 ALDH1A1 (0.71) P2RY12ALDH1A1KDM4EACACB
SCHEMBL3327054 0.84 P2RY12 (0.56) P2RY12ALDH1A1KDM4EL3MBTL1LMNA

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-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed