SCHEMBL29645635

SCHEMBL29645635

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
THRB P10828 3/20 0.39
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
CSNK1D P48730 1/20 0.38
ABCG2 Q9UNQ0 5/20 0.38
DHODH Q02127 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 2/20 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
SCHEMBL29645542 0.90 MAPT (0.46) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29646003 0.88 MAPT (0.56) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29645822 0.85 MAPT (0.47) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29646058 0.85 MAPT (0.47) MAPTSMN1; SMN2THRBABCG2KMT2A
SCHEMBL29645544 0.83 MAPT (0.53) MAPTSMN1; SMN2THRBLMNAKMT2A
SCHEMBL29645482 0.83 MAPT (0.53) MAPTSMN1; SMN2DYRK1ACLK4THRB
SCHEMBL29646166 0.82 PIK3CD (0.35)
SCHEMBL29645863 0.81 MAPT (0.44) MAPTSMN1; SMN2CLK4THRBLMNA
SCHEMBL29645660 0.81 MAPT (0.44) MAPTSMN1; SMN2CLK4THRBLMNA
SCHEMBL31150055 0.81 MAPT (0.44) MAPTSMN1; SMN2DYRK1ACLK4THRB

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