SCHEMBL29645544

SCHEMBL29645544

COc1cccc(-c2nc3c4cc(C)ccc4nc(Nc4ccccnc4=O)n3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RXFP1 Q9HBX9 3/20 0.47
THRB P10828 2/20 0.46
TP53 P04637 4/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 1/20 0.41
UBE2N P61088 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29645482 0.93 MAPT (0.53) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29646002 0.91 MAPT (0.48) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29646003 0.91 MAPT (0.56) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29646058 0.91 MAPT (0.47) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29645943 0.87 MAPT (0.50) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29645822 0.85 MAPT (0.47) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29645578 0.85 MAPT (0.46) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29645542 0.85 MAPT (0.46) MAPTSMN1; SMN2RXFP1THRBTP53
SCHEMBL29646074 0.84 MAPT (0.48) MAPTSMN1; SMN2RXFP1THRBPOLB
SCHEMBL29645577 0.83 MAPT (0.45) MAPTSMN1; SMN2RXFP1THRBTP53

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