SCHEMBL3936151

SCHEMBL3936151

CCOC(=O)c1cc(C#N)c(NC2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)C2)nc1C(F)(F)F.O=C(O)c1cccnc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.56
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4365314 0.92 P2RY12 (0.64) P2RY12KDM4EMAPTALDH1A1
SCHEMBL4351349 0.88 P2RY12 (0.59) P2RY12KDM4EMAPTALDH1A1
SCHEMBL3930910 0.82 P2RY12 (0.57) P2RY12KDM4EALDH1A1
SCHEMBL3941792 0.79 P2RY12 (0.58) P2RY12KDM4EMAPTALDH1A1
SCHEMBL3936294 0.78 P2RY12 (0.59) P2RY12KDM4EMAPTALDH1A1
SCHEMBL3584223 0.78 P2RY12 (0.82) P2RY12ALDH1A1
SCHEMBL3578444 0.78 P2RY12 (0.82) P2RY12
SCHEMBL3930016 0.77 KDM4E (0.59) P2RY12KDM4EMAPTALDH1A1
SCHEMBL3932387 0.77 P2RY12 (0.66) P2RY12KDM4EMAPTALDH1A1
SCHEMBL4011120 0.72 P2RY12 (0.62) P2RY12ALDH1A1

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-2044024-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2008004943-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 WO disclosed