SCHEMBL29648974

SCHEMBL29648974

CN(C(=O)O)c1c(Br)cccc1C#N.O=c1[nH]c2c(Br)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
DDR1 Q08345 2/20 0.31
MGLL Q99685 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
XDH P47989 1/20 0.31
IDH1 O75874 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL22979408 0.85 XDH (0.41) DDR1ADORA3XDH
SCHEMBL29646387 0.85 XDH (0.41) DDR1ADORA3XDH
SCHEMBL22988093 0.75 KDM4E (0.46) XDH
SCHEMBL22988015 0.75 XDH (0.41) ADORA3XDH
SCHEMBL22987441 0.74 GABRP (0.41) MGLLXDH
SCHEMBL22988092 0.73 XDH (0.41) ADORA3XDH
SCHEMBL22987828 0.71 GABRP (0.54) ADORA3
SCHEMBL29649021 0.70 HAVCR2 (0.34)
SCHEMBL22987613 0.68 ENPP3 (0.36) DDR1ADORA3
SCHEMBL22987726 0.66 XDH (0.58) XDH

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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed