SCHEMBL29645668

SCHEMBL29645668

Cc1cc(-c2nc3c4ccccc4nc(Nc4ccccnc4=O)n3n2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 2/20 0.42
THRB P10828 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.39
SMARCA2 P51531 1/20 0.39
KMT2A Q03164 1/20 0.39
UHRF1 Q96T88 1/20 0.39

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
SCHEMBL29645859 0.92 MAPT (0.44) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645903 0.89 MAPT (0.45) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645802 0.87 MAPT (0.49) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645655 0.87 MAPT (0.42) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645770 0.86 MAPT (0.47) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645503 0.86 ADORA3 (0.49) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645708 0.86 MAPT (0.43) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645458 0.86 MAPT (0.50) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645625 0.86 MAPT (0.44) MAPTRXFP1TP53POLBTHRB
SCHEMBL29645760 0.85 MAPT (0.56) MAPTRXFP1TP53POLBTHRB

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