SCHEMBL29646148

SCHEMBL29646148

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 2/20 0.36
MAT2A P31153 2/20 0.35
CSNK1D P48730 1/20 0.35
KCNT1 Q5JUK3 1/20 0.35
SCN9A Q15858 2/20 0.35
THRB P10828 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
SCHEMBL29645682 0.91 ADORA3 (0.40) MAPTTP53RXFP1
SCHEMBL31149906 0.91 MAPT (0.37) LMNAMAPTTP53RXFP1MAT2A
SCHEMBL29645502 0.89 RXFP1 (0.41) LMNAMAPTTP53RXFP1CSNK1D
SCHEMBL29645799 0.88 LMNA (0.38) LMNAMAPTTP53RXFP1CSNK1D
SCHEMBL29645778 0.88 LMNA (0.38) LMNAMAPTTP53RXFP1THRB
SCHEMBL29645914 0.87 NR1H2 (0.40) MAPT
SCHEMBL29645499 0.86 MAPT (0.37) LMNAMAPTTP53RXFP1MAT2A
SCHEMBL29645458 0.85 MAPT (0.50) MAPTTP53RXFP1THRB
SCHEMBL29645803 0.85 POLB (0.46) MAPTTP53RXFP1THRB
SCHEMBL29645837 0.84 EGFR (0.36) TP53RXFP1CSNK1D

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