SCHEMBL29645593

SCHEMBL29645593

CCSc1cccc2c1nc(Nc1ccccnc1=O)n1nc(-c3ccc(OC)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
ADORA3 P0DMS8 10/20 0.41
TP53 P04637 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
XDH P47989 1/20 0.37
ACHE P22303 1/20 0.36
LIPE Q05469 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL31150044 0.91 THRB (0.41) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645814 0.91 KDM4E (0.46) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645939 0.89 KDM4E (0.44) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29646140 0.87 POLB (0.45) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645741 0.86 KDM4E (0.48) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645574 0.86 KDM4E (0.48) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645586 0.86 KDM4E (0.48) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29646501 0.86 KDM4E (0.46) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645929 0.85 KDM4E (0.47) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645699 0.85 KDM4E (0.47) POLBKDM4EALDH1A1MAPTTHRB

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