SCHEMBL29645986

SCHEMBL29645986

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cnn(C4COC4)c3)nn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
POLB P06746 2/20 0.38
THRB P10828 3/20 0.37
ALK Q9UM73 1/20 0.36
RAD52 P43351 2/20 0.36
ROCK1 Q13464 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 1/20 0.35
ALPL P05186 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMARCA2 P51531 1/20 0.35
KMT2A Q03164 1/20 0.35
UHRF1 Q96T88 1/20 0.35
P2RX7 Q99572 1/20 0.35
ADK P55263 1/20 0.34

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
SCHEMBL29646080 0.93 MAPT (0.40) MAPTPOLBTHRBALKRAD52
SCHEMBL29646101 0.93 ALK (0.46) MAPTPOLBTHRBALKRAD52
SCHEMBL29646004 0.91 MAPT (0.39) MAPTPOLBTHRBALKRAD52
SCHEMBL29645493 0.89 ALK (0.46) ALK
SCHEMBL29646064 0.88 RAD52 (0.45) MAPTPOLBTHRBRAD52TP53
SCHEMBL29645782 0.86 MAPT (0.43) MAPTPOLBTHRBALKRAD52
SCHEMBL29645998 0.83 MAPT (0.41) MAPTPOLBTHRBRAD52ADORA3
SCHEMBL29645480 0.82 MAPT (0.42) MAPTPOLBTHRBRAD52ADORA3
SCHEMBL29645760 0.82 MAPT (0.56) MAPTPOLBTHRBRAD52ADORA3
SCHEMBL29645537 0.81 MAPT (0.41) MAPTPOLBTHRBRAD52ADORA3

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 4 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
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 disclosed
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 disclosed