SCHEMBL29645537

SCHEMBL29645537

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cnn(C(F)F)c3)nn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
POLB P06746 2/20 0.39
THRB P10828 3/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
TP53 P04637 3/20 0.37
RAD52 P43351 2/20 0.36
SMARCA2 P51531 1/20 0.36
KMT2A Q03164 1/20 0.36
UHRF1 Q96T88 1/20 0.36
ADK P55263 1/20 0.36
EGFR P00533 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL29645480 0.92 MAPT (0.42) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645421 0.87 TTK (0.31)
SCHEMBL29645782 0.86 MAPT (0.43) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645878 0.86 HSP90AA1 (0.35) ADORA3ADORA1
SCHEMBL29645760 0.84 MAPT (0.56) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29646016 0.83 MAPT (0.46) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645994 0.83 MAPT (0.42) MAPTPOLBTHRBTP53RAD52
SCHEMBL29646080 0.83 MAPT (0.40) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645731 0.82 MAPT (0.44) MAPTPOLBTHRBADORA3ADORA1
SCHEMBL29645503 0.82 ADORA3 (0.49) MAPTPOLBTHRBADORA3ADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
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