SCHEMBL20116804

SCHEMBL20116804

CC(C)n1ncc2ccc(-c3nc(N4CCN(C=O)CC4)no3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
USP30 Q70CQ3 1/20 0.34
PIK3CD O00329 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
PTGER3 P43115 1/20 0.32
WEE1 P30291 1/20 0.32
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
POLB P06746 2/20 0.31
TP53 P04637 2/20 0.30
S1PR1 P21453 2/20 0.30

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
SCHEMBL20116054 0.84 USP30 (0.37) MAPTKDM4EALDH1A1USP30PIK3CD
SCHEMBL20117183 0.84 MAPT (0.40) MAPTKDM4EALDH1A1PIK3CDPTGER3
SCHEMBL20116454 0.83 S1PR1 (0.43) ALDH1A1HDAC8S1PR1HDAC4
SCHEMBL20116504 0.82 HDAC8 (0.39) MAPTL3MBTL1HDAC8PTGER3S1PR1
SCHEMBL20116238 0.81 S1PR1 (0.38) KDM4EALDH1A1HDAC8USP30TBK1
SCHEMBL20116242 0.81 PIK3CD (0.34) HDAC8USP30PIK3CDBRD4CREBBP
SCHEMBL20116365 0.80 LRRK2 (0.46) TBK1S1PR1HDAC4
SCHEMBL20676521 0.80 PIK3CD (0.34) MAPTKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL20116456 0.80 GBA1 (0.44) KDM4EALDH1A1HDAC8S1PR1
SCHEMBL20676474 0.80 USP30 (0.41) KDM4EALDH1A1USP30PIK3CDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed