SCHEMBL29645899

SCHEMBL29645899

CC(C)Oc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
THRB P10828 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 3/20 0.39
MET P08581 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
CSNK1E P49674 1/20 0.38
P2RX3 P56373 1/20 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
SCHEMBL29645770 0.91 MAPT (0.47) MAPTTHRBSMN1; SMN2RXFP1MET
SCHEMBL29645859 0.87 MAPT (0.44) MAPTTHRBSMN1; SMN2RXFP1TP53
SCHEMBL29645441 0.86 MAPT (0.47) MAPTTHRBSMN1; SMN2RXFP1TP53
SCHEMBL29645581 0.85 MAPT (0.51) MAPTTHRBSMN1; SMN2RXFP1TP53
SCHEMBL29645668 0.84 MAPT (0.46) MAPTTHRBSMN1; SMN2RXFP1TP53
SCHEMBL29645655 0.84 MAPT (0.42) MAPTTHRBSMN1; SMN2RXFP1TP53
SCHEMBL29645802 0.83 MAPT (0.49) MAPTTHRBSMN1; SMN2RXFP1TP53
SCHEMBL29645903 0.83 MAPT (0.45) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645503 0.82 ADORA3 (0.49) MAPTTHRBRXFP1TP53POLB
SCHEMBL29645760 0.81 MAPT (0.56) MAPTTHRBSMN1; SMN2RXFP1TP53

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