SCHEMBL29645606

SCHEMBL29645606

Nc1ccc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
THRB P10828 4/20 0.42
POLB P06746 2/20 0.41
ADK P55263 1/20 0.41
TP53 P04637 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
RAD52 P43351 2/20 0.38
SMARCA2 P51531 1/20 0.38
KMT2A Q03164 1/20 0.38
UHRF1 Q96T88 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HCRTR1 O43613 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
SCHEMBL29645731 0.89 MAPT (0.44) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645760 0.88 MAPT (0.56) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645427 0.86 MAPT (0.45) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645503 0.85 ADORA3 (0.49) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645834 0.85 ADORA3 (0.49) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645888 0.85 MAPT (0.55) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645925 0.83 MAPT (0.43) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29646128 0.83 MAPT (0.44) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645859 0.82 MAPT (0.44) MAPTTHRBPOLBTP53ADORA3
SCHEMBL29645654 0.82 MAPT (0.43) MAPTTHRBPOLBTP53ADORA3

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