SCHEMBL20355422

SCHEMBL20355422

CCCC1(CCC(C)C)CNC(=O)O1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
PRKCA P17252 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
SCHEMBL16882826 0.69 SIRT2 (0.43)
SCHEMBL18595227 0.65 PDE4B (0.33) PDE4BPDE4D
SCHEMBL24245161 0.64 SIRT2 (0.44) PRKCA
SCHEMBL16885277 0.63 PIK3CD (0.33) PDE4BPDE4D
SCHEMBL16885275 0.63 PIK3CD (0.33) PDE4BPDE4D
SCHEMBL21136842 0.63 CHRNA7 (0.31) PDE4BPDE4D
SCHEMBL23962145 0.63 PDE4B (0.33) PDE4BPDE4D
SCHEMBL17037488 0.63 PIK3CD (0.33) PDE4BPDE4D
SCHEMBL23462594 0.63 CHRNA7 (0.35) PDE4BPDE4D
SCHEMBL18896609 0.62 LMNA (0.43) PDE4BPDE4D

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-2018121758-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION 南京明德新药研发股份有限公司 2018-07-05 WO disclosed