SCHEMBL29645542

SCHEMBL29645542

COc1cccc(-c2nc3c4c(C)cccc4nc(Nc4ccccnc4=O)n3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CSNK1D P48730 1/20 0.40
THRB P10828 3/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
ZAP70 P43403 1/20 0.39
SYK P43405 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 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
SCHEMBL29645660 0.91 MAPT (0.44) MAPTSMN1; SMN2CLK4THRBTP53
SCHEMBL31150055 0.91 MAPT (0.44) MAPTSMN1; SMN2DYRK1ACLK4CSNK1D
SCHEMBL29645635 0.90 MAPT (0.44) MAPTSMN1; SMN2DYRK1ACLK4CSNK1D
SCHEMBL29646003 0.88 MAPT (0.56) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29645578 0.86 MAPT (0.46) MAPTSMN1; SMN2DYRK1ACLK4CSNK1D
SCHEMBL29645544 0.85 MAPT (0.53) MAPTSMN1; SMN2THRBRXFP1TP53
SCHEMBL29645482 0.85 MAPT (0.53) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29645822 0.83 MAPT (0.47) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29646058 0.83 MAPT (0.47) MAPTSMN1; SMN2THRBRXFP1TP53
SCHEMBL29645863 0.82 MAPT (0.44) MAPTSMN1; SMN2CLK4THRBRXFP1

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