SCHEMBL29646387

SCHEMBL29646387

O=c1[nH]c2c(Br)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
DDR1 Q08345 2/20 0.38
HAVCR2 Q8TDQ0 1/20 0.37

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 1.00 XDH (0.41) XDHADORA3DDR1HAVCR2
SCHEMBL22988015 0.89 XDH (0.41) XDHADORA3HAVCR2
SCHEMBL22987441 0.87 GABRP (0.41) XDH
SCHEMBL22988093 0.87 KDM4E (0.46) XDHHAVCR2
SCHEMBL22988092 0.87 XDH (0.41) XDHADORA3HAVCR2
SCHEMBL29648974 0.85 F11 (0.32) XDHADORA3DDR1
SCHEMBL22987828 0.84 GABRP (0.54) ADORA3HAVCR2
SCHEMBL22987613 0.81 ENPP3 (0.36) ADORA3DDR1
SCHEMBL22987726 0.78 XDH (0.58) XDH
SCHEMBL22987646 0.78 XDH (0.39) XDHADORA3HAVCR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed