SCHEMBL29646003

SCHEMBL29646003

COc1cccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
THRB P10828 3/20 0.52
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 1/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL31149972 0.92 MAPT (0.54) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645482 0.91 MAPT (0.53) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645544 0.91 MAPT (0.53) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645822 0.90 MAPT (0.47) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29646058 0.90 MAPT (0.47) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645487 0.90 MAPT (0.59) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645542 0.88 MAPT (0.46) MAPTSMN1; SMN2THRBRXFP1TP53
SCHEMBL29646401 0.88 MAPT (0.50) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645578 0.88 MAPT (0.46) MAPTSMN1; SMN2THRBRXFP1POLB
SCHEMBL29645581 0.88 MAPT (0.51) MAPTSMN1; SMN2THRBRXFP1POLB

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