SCHEMBL29645625

SCHEMBL29645625

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccnc(F)c3)nn12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
RAD52 P43351 2/20 0.40
SMARCA2 P51531 1/20 0.40
KMT2A Q03164 1/20 0.40
UHRF1 Q96T88 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
THRB P10828 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
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
SCHEMBL29645859 0.90 MAPT (0.44) MAPTPOLBRXFP1TP53RAD52
SCHEMBL29645458 0.88 MAPT (0.50) MAPTPOLBRXFP1TP53ADORA3
SCHEMBL29645760 0.88 MAPT (0.56) MAPTPOLBRXFP1TP53RAD52
SCHEMBL29645731 0.87 MAPT (0.44) MAPTPOLBRXFP1TP53RAD52
SCHEMBL29645503 0.87 ADORA3 (0.49) MAPTPOLBRXFP1TP53RAD52
SCHEMBL29645668 0.86 MAPT (0.46) MAPTPOLBRXFP1TP53RAD52
SCHEMBL29645903 0.86 MAPT (0.45) MAPTPOLBRXFP1TP53ADORA3
SCHEMBL29645655 0.86 MAPT (0.42) MAPTPOLBRXFP1TP53RAD52
SCHEMBL29645571 0.84 MAPT (0.46) MAPTPOLBRXFP1TP53KMT2A
SCHEMBL29645427 0.84 MAPT (0.45) MAPTPOLBRXFP1TP53RAD52

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