SCHEMBL29645778

SCHEMBL29645778

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MAPT P10636 7/20 0.38
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29645502 0.91 RXFP1 (0.41) LMNAMAPTTP53RXFP1THRB
SCHEMBL29645933 0.91 TP53 (0.41) MAPTTP53RXFP1THRBMEN1
SCHEMBL31149926 0.90 MAPT (0.40) LMNAMAPTTP53RXFP1THRB
SCHEMBL29645799 0.89 LMNA (0.38) LMNAMAPTTP53RXFP1KMT2A
SCHEMBL29646148 0.88 LMNA (0.39) LMNAMAPTTP53RXFP1THRB
SCHEMBL29645864 0.87 MAPT (0.40) MAPTTHRBKMT2A
SCHEMBL29645458 0.87 MAPT (0.50) MAPTTP53RXFP1THRB
SCHEMBL29645511 0.85 ADORA3 (0.41) LMNAMAPTTP53RXFP1THRB
SCHEMBL29645883 0.85 AMY1A (0.37) LMNAMAPTTP53RXFP1
SCHEMBL29645929 0.83 KDM4E (0.47) MAPTTP53THRBKMT2A

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