SCHEMBL27698024

SCHEMBL27698024

CCc1cnc(-c2cnc(N3CCC(C(=O)NS(=O)(=O)CC=Cc4ccc(Cl)s4)CC3)c(Cl)c2NC)o1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 9/20 0.43
F10 P00742 6/20 0.35
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL28772018 0.92 P2RY12 (0.45) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27718611 0.91 P2RY12 (0.43) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL28769429 0.91 P2RY12 (0.45) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27698068 0.90 P2RY12 (0.43) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27718616 0.90 P2RY12 (0.43) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27718476 0.89 P2RY12 (0.42) P2RY12F10CYP3A4CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL27698069 0.87 P2RY12 (0.41) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27698028 0.87 P2RY12 (0.42) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27698119 0.86 P2RY12 (0.45) P2RY12F10CYP3A4CYP2D6CYP2C9
SCHEMBL27698084 0.86 P2RY12 (0.48) P2RY12F10CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101137643-A Novel pyridine compounds ASTRAZENECA AB (SE) 2008-03-05 CN disclosed