SCHEMBL29645787

SCHEMBL29645787

O=c1nccccc1Nc1nc2cccc(Br)c2c2nc(-c3cccc(F)c3)nn12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
AMY1A P0DUB6 1/20 0.35
CSNK1D P48730 1/20 0.35
GRM5 P41594 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TP53 P04637 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 3/20 0.33
DCTPP1 Q9H773 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL29645704 0.91 MAPT (0.37) MAPTTP53RXFP1POLB
SCHEMBL31149874 0.90 MAPT (0.36) MAPTAMY1ACSNK1DPDE10ATP53
SCHEMBL29645511 0.89 ADORA3 (0.41) MAPTCSNK1DPDE10ATP53RXFP1
SCHEMBL29645499 0.88 MAPT (0.37) MAPTCSNK1DPDE10ATP53RXFP1
SCHEMBL29645458 0.87 MAPT (0.50) MAPTTP53RXFP1POLB
SCHEMBL29645744 0.86 MAPT (0.36) MAPTCSNK1DPDE10ATP53RXFP1
SCHEMBL29645799 0.85 LMNA (0.38) MAPTAMY1ACSNK1DGRM5TP53
SCHEMBL29645991 0.83 MAPT (0.44) MAPTRXFP1POLB
SCHEMBL29645883 0.83 AMY1A (0.37) MAPTAMY1ACSNK1DGRM5TP53
SCHEMBL29645501 0.82 EGFR (0.33)

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