SCHEMBL29645799

SCHEMBL29645799

O=c1nccccc1Nc1nc2c(Br)cccc2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 4/20 0.37
RXFP1 Q9HBX9 2/20 0.36
AMY1A P0DUB6 1/20 0.35
CSNK1D P48730 1/20 0.35
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL29645883 0.92 AMY1A (0.37) LMNAMAPTTP53RXFP1AMY1A
SCHEMBL29645502 0.91 RXFP1 (0.41) LMNAMAPTTP53RXFP1CSNK1D
SCHEMBL29645825 0.91 TP53 (0.41) MAPTTP53RXFP1ABCG2
SCHEMBL31150013 0.90 MAPT (0.36) LMNAMAPTTP53RXFP1AMY1A
SCHEMBL29645778 0.89 LMNA (0.38) LMNAMAPTTP53RXFP1KMT2A
SCHEMBL29646148 0.88 LMNA (0.39) LMNAMAPTTP53RXFP1CSNK1D
SCHEMBL29645458 0.87 MAPT (0.50) MAPTTP53RXFP1
SCHEMBL29645930 0.87 POLB (0.38) MAPTTP53RXFP1KMT2A
SCHEMBL29645787 0.85 MAPT (0.38) LMNAMAPTTP53RXFP1AMY1A
SCHEMBL29645755 0.85 MAPT (0.40) MAPT

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