SCHEMBL25612002

SCHEMBL25612002

CCCC/C=C(/C)c1c(C)ncnc1N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
KDR P35968 6/20 0.32
AHCY P23526 3/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ADORA1 P30542 2/20 0.31
ADORA2B P29275 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADA P00813 1/20 0.30

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
SCHEMBL18519305 0.84 ADORA2A (0.33) ADORA2AKDRAHCYPI4KAPI4K2B
SCHEMBL25611841 0.78 NPC1 (0.33)
SCHEMBL21913198 0.77 KDR (0.30) KDR
SCHEMBL25611830 0.72
SCHEMBL25611849 0.69 NPC1 (0.34)
SCHEMBL20375123 0.68 LIMK1 (0.32)
SCHEMBL21393838 0.65 MAPT (0.44) KDRADORA3
SCHEMBL19999905 0.61
SCHEMBL1485758 0.61
SCHEMBL24514193 0.61 TLR8 (0.38) ADORA2API4KAPI4K2BPI4K2API4KB

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
WO-2023102228-A1 HETEROCYCLIC COMPOPUNDS AS GCN2 AND PERK KINASE INHIBITORS DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-08 WO disclosed