SCHEMBL29645672

SCHEMBL29645672

COc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
THRB P10828 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.43
P2RX7 Q99572 6/20 0.39
POLB P06746 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACP1 P24666 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31149889 0.92 THRB (0.47) MAPTTHRBSMN1; SMN2RXFP1P2RX7
SCHEMBL29645893 0.90 MAPT (0.45) MAPTTHRBSMN1; SMN2RXFP1POLB
SCHEMBL29645588 0.88 MAPT (0.43) MAPTTHRBSMN1; SMN2RXFP1P2RX7
SCHEMBL29645642 0.87 MAPT (0.43) MAPTTHRBSMN1; SMN2RXFP1P2RX7
SCHEMBL29645533 0.87 MAPT (0.41) MAPTTHRBSMN1; SMN2RXFP1POLB
SCHEMBL29645487 0.86 MAPT (0.59) MAPTTHRBSMN1; SMN2RXFP1POLB
SCHEMBL29646003 0.85 MAPT (0.56) MAPTTHRBSMN1; SMN2RXFP1POLB
SCHEMBL29646060 0.84 TP53 (0.47) MAPTTHRBSMN1; SMN2RXFP1POLB
SCHEMBL29645765 0.83 MAPT (0.39) MAPTTHRBSMN1; SMN2RXFP1ADORA3
SCHEMBL29645943 0.83 MAPT (0.50) MAPTTHRBSMN1; SMN2RXFP1POLB

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