SCHEMBL27698192

SCHEMBL27698192

CCc1cnc(-c2cc(Cl)c(N3CCC(C(=O)NS(=O)(=O)CC=Cc4ccc(Cl)s4)CC3)nc2OC)o1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.45
F10 P00742 4/20 0.36
MALT1 Q9UDY8 5/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL27718617 0.91 P2RY12 (0.46) P2RY12F10MALT1CYP2C9CYP1A2
SCHEMBL27698119 0.90 P2RY12 (0.45) P2RY12F10MALT1CYP2C9CYP1A2
SCHEMBL27698084 0.87 P2RY12 (0.48) P2RY12F10MALT1CYP2C9CYP1A2
SCHEMBL27718616 0.87 P2RY12 (0.43) P2RY12F10MALT1CYP2C9CYP1A2
SCHEMBL4099897 0.86 P2RY12 (0.59) P2RY12MALT1CYP2C9CYP1A2CYP3A4
SCHEMBL28772018 0.84 P2RY12 (0.45) P2RY12F10CYP2C9CYP1A2CYP3A4
SCHEMBL28769429 0.84 P2RY12 (0.45) P2RY12F10MALT1CYP2C9CYP1A2
SCHEMBL27718611 0.84 P2RY12 (0.43) P2RY12F10MALT1CYP2C9CYP1A2
SCHEMBL27698048 0.84 P2RY12 (0.44) P2RY12F10CYP2C9CYP1A2CYP3A4
SCHEMBL27698024 0.83 P2RY12 (0.43) P2RY12F10CYP2C9CYP1A2CYP3A4

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