SCHEMBL29645859

SCHEMBL29645859

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(F)c(F)c3)nn12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
POLB P06746 2/20 0.41
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 1/20 0.40
THRB P10828 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
KMT2A Q03164 1/20 0.38
UHRF1 Q96T88 1/20 0.38

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
SCHEMBL29645903 0.92 MAPT (0.45) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645668 0.92 MAPT (0.46) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645655 0.92 MAPT (0.42) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645625 0.90 MAPT (0.44) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645770 0.89 MAPT (0.47) MAPTPOLBTP53RXFP1THRB
SCHEMBL29645503 0.89 ADORA3 (0.49) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645458 0.88 MAPT (0.50) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645760 0.88 MAPT (0.56) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645731 0.87 MAPT (0.44) MAPTPOLBTP53RXFP1ADORA3
SCHEMBL29645888 0.87 MAPT (0.55) MAPTPOLBTP53ADORA3ADORA1

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