SCHEMBL29646071

SCHEMBL29646071

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cccc(Cl)c3Cl)nn12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
THRB P10828 1/20 0.43
POLB P06746 2/20 0.38
XDH P47989 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ADK P55263 1/20 0.37
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
C1R P00736 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29645636 0.94 MAPT (0.47) MAPTTHRBPOLBXDHADK
SCHEMBL31150028 0.91 MAPT (0.47) MAPTTHRBPOLBXDHRXFP1
SCHEMBL29645430 0.86 NPC1 (0.48) MAPTTHRBPOLBADKTP53
SCHEMBL29645843 0.86 KMT2A (0.44) MAPTTHRBPOLBADKTP53
SCHEMBL29645533 0.86 MAPT (0.41) MAPTTHRBPOLBRXFP1ADK
SCHEMBL29645527 0.86 MAPT (0.41) MAPTPOLBADKTP53
SCHEMBL29645608 0.85 MAPT (0.40) MAPTTHRBPOLBADKTP53
SCHEMBL29645954 0.85 MAPT (0.41) MAPTTHRBPOLBRXFP1ADK
SCHEMBL29645570 0.84 MAPT (0.40) MAPTTHRBPOLBRXFP1ADK
SCHEMBL29645760 0.84 MAPT (0.56) MAPTTHRBPOLBRXFP1TP53

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