SCHEMBL29645942

SCHEMBL29645942

Cc1nc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)co1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
RAD52 P43351 2/20 0.36
SMARCA2 P51531 1/20 0.36
KMT2A Q03164 1/20 0.36
UHRF1 Q96T88 1/20 0.36
ADK P55263 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
SCHEMBL29645980 0.83 MAPT (0.41) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645631 0.83 ADORA3 (0.39) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645760 0.82 MAPT (0.56) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645533 0.82 MAPT (0.41) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645950 0.82 MAPT (0.41) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645686 0.81 ADORA3 (0.50) ADORA3ADORA1
SCHEMBL29645666 0.81 MAPT (0.40) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645457 0.81 MAPT (0.41) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645786 0.80 MAPT (0.42) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645999 0.80 MAPT (0.40) MAPTPOLBTP53RXFP1THRB

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