SCHEMBL16760508

SCHEMBL16760508

COc1cc(C#N)c(N=CN(C)C)cc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.38
SRC P12931 8/20 0.38
ABL2 P42684 8/20 0.38
PDE4B Q07343 8/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
TRPC6 Q9Y210 1/20 0.35
KDR P35968 1/20 0.35
XDH P47989 1/20 0.34

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
SCHEMBL16760543 1.00 ABL1 (0.38) ABL1SRCABL2PDE4BPDE4A
SCHEMBL5048852 0.88 GPR119 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL5048849 0.88 GPR119 (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL5025339 0.88 ABL1 (0.47) ABL1SRCABL2KDR
SCHEMBL5025337 0.88 ABL1 (0.47) ABL1SRCABL2KDR
SCHEMBL4288363 0.84 CHRNB4 (0.37) ABL1SRCABL2
SCHEMBL4288369 0.84 CHRNB4 (0.37) ABL1SRCABL2
SCHEMBL16760505 0.80 HPGD (0.46)
SCHEMBL16760431 0.80 HPGD (0.46)
SCHEMBL5026019 0.77 ALDH1A1 (0.35) ABL1SRCABL2PDE4BPDE4A

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-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO disclosed