SCHEMBL29645457

SCHEMBL29645457

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cnccn3)nn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
THRB P10828 4/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 2/20 0.38
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
UHRF1 Q96T88 1/20 0.38
ADK P55263 1/20 0.37
CYP3A4 P08684 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
P2RX7 Q99572 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 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
SCHEMBL29645760 0.85 MAPT (0.56) MAPTTHRBTP53POLBKMT2A
SCHEMBL29645666 0.84 MAPT (0.40) MAPTTHRBTP53POLBKMT2A
SCHEMBL29645980 0.84 MAPT (0.41) MAPTTHRBTP53POLBKMT2A
SCHEMBL29645638 0.83 MAPT (0.40) MAPTTHRBTP53POLBKMT2A
SCHEMBL29645786 0.83 MAPT (0.42) MAPTTHRBTP53POLBKMT2A
SCHEMBL31149944 0.82 RXFP1 (0.47) MAPTTHRBTP53POLBKMT2A
SCHEMBL31149890 0.82 THRB (0.43) MAPTTHRBTP53POLBKMT2A
SCHEMBL29645427 0.82 MAPT (0.45) MAPTTHRBTP53POLBKMT2A
SCHEMBL31149912 0.81 ADORA3 (0.48) CYP3A4ADORA3ADORA1ALDH1A1
SCHEMBL29645942 0.81 MAPT (0.39) MAPTTHRBTP53POLBKMT2A

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