SCHEMBL29645577

SCHEMBL29645577

COc1ccc2nc(Nc3ccccnc3=O)n3nc(-c4ccc(F)cc4)nc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
THRB P10828 2/20 0.45
TP53 P04637 2/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
RXFP1 Q9HBX9 2/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL29645988 0.95 MAPT (0.47) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29645943 0.95 MAPT (0.50) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29645764 0.90 ADORA3 (0.43) MAPTTP53POLBADORA3RXFP1
SCHEMBL29646058 0.90 MAPT (0.47) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29645889 0.90 MAPT (0.47) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29645491 0.89 MAPT (0.48) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29646002 0.89 MAPT (0.48) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29645765 0.88 MAPT (0.39) MAPTTHRBTP53ALDH1A1ADORA3
SCHEMBL29645650 0.87 MAPT (0.50) MAPTTHRBTP53KDM4EPOLB
SCHEMBL29645487 0.87 MAPT (0.59) MAPTTHRBTP53KDM4EPOLB

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