SCHEMBL29645998

SCHEMBL29645998

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cnn(CC4CC4)c3)nn12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
EGFR P00533 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 3/20 0.39
RAD52 P43351 2/20 0.38
TP53 P04637 2/20 0.37
SMARCA2 P51531 1/20 0.37
KMT2A Q03164 1/20 0.37
UHRF1 Q96T88 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
HCRTR1 O43613 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 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
SCHEMBL29645471 0.97 MAPT (0.40) MAPTEGFRPOLBTHRBRAD52
SCHEMBL31150061 0.93 MAPT (0.41) MAPTEGFRPOLBTHRBRAD52
SCHEMBL29645994 0.88 MAPT (0.42) MAPTPOLBTHRBRAD52TP53
SCHEMBL29645916 0.88 EGFR (0.34) EGFRADORA3ADORA1
SCHEMBL29646080 0.86 MAPT (0.40) MAPTPOLBTHRBRAD52TP53
SCHEMBL29645782 0.86 MAPT (0.43) MAPTPOLBTHRBRAD52TP53
SCHEMBL29645452 0.85 MAPT (0.41) MAPTPOLBTHRBRAD52TP53
SCHEMBL29646044 0.85 MAP4K4 (0.41) MAPTPOLBTHRBRAD52TP53
SCHEMBL29646194 0.85 TP53 (0.44) MAPTPOLBTHRBRAD52TP53
SCHEMBL29645716 0.85 ADORA3 (0.32) EGFRADORA3ADORA1

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