SCHEMBL29645888

SCHEMBL29645888

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ADORA3 P0DMS8 5/20 0.49
POLB P06746 2/20 0.46
ADORA1 P30542 3/20 0.44
THRB P10828 3/20 0.44
ADORA2A P29274 2/20 0.43
RAD52 P43351 1/20 0.42
SMARCA2 P51531 1/20 0.42
KMT2A Q03164 1/20 0.42
UHRF1 Q96T88 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL29645760 0.92 MAPT (0.56) MAPTADORA3POLBADORA1THRB
SCHEMBL29645834 0.90 ADORA3 (0.49) MAPTADORA3POLBADORA1THRB
SCHEMBL29645503 0.90 ADORA3 (0.49) MAPTADORA3POLBADORA1THRB
SCHEMBL29645968 0.89 MAPT (0.48) MAPTADORA3POLBADORA1THRB
SCHEMBL29645903 0.88 MAPT (0.45) MAPTADORA3POLBADORA1THRB
SCHEMBL29645605 0.87 MAPT (0.47) MAPTPOLBTHRBRAD52SMARCA2
SCHEMBL29645516 0.87 MAPT (0.46) MAPTADORA3POLBADORA1THRB
SCHEMBL29645859 0.87 MAPT (0.44) MAPTADORA3POLBADORA1THRB
SCHEMBL29645487 0.87 MAPT (0.59) MAPTADORA3POLBTHRBTP53
SCHEMBL29646016 0.87 MAPT (0.46) MAPTADORA3POLBADORA1THRB

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