SCHEMBL29645883

SCHEMBL29645883

O=c1nccccc1Nc1nc2c(Br)cc(Br)cc2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CSNK1D P48730 1/20 0.34
GRM5 P41594 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33

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
SCHEMBL29645799 0.92 LMNA (0.38) AMY1ALMNAMAPTTP53RXFP1
SCHEMBL29645824 0.91 ADORA3 (0.39) MAPTTP53
SCHEMBL29645502 0.86 RXFP1 (0.41) LMNAMAPTTP53RXFP1CSNK1D
SCHEMBL29645778 0.85 LMNA (0.38) LMNAMAPTTP53RXFP1
SCHEMBL29645458 0.84 MAPT (0.50) MAPTTP53RXFP1
SCHEMBL29646148 0.83 LMNA (0.39) LMNAMAPTTP53RXFP1CSNK1D
SCHEMBL29645475 0.83 KDM4E (0.44) MAPTTP53RXFP1
SCHEMBL29645787 0.83 MAPT (0.38) AMY1ALMNAMAPTTP53RXFP1
SCHEMBL29645825 0.83 TP53 (0.41) MAPTTP53RXFP1
SCHEMBL31150013 0.82 MAPT (0.36) AMY1ALMNAMAPTTP53RXFP1

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
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 claimed