SCHEMBL20676536

SCHEMBL20676536

CC(C)C(=O)N1CCC(C2=NC(c3ccc4cnn(C5COC5)c4c3)=NC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ GPR119 Q8TDV5 3/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL21611280 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1
SCHEMBL20116305 0.80 USP7 (0.41) PIK3CDSMN1; SMN2ALDH1A1
SCHEMBL22358408 0.77 KHK (0.44) MAPK8MAPK9MAPK10ALDH1A1HTR1A
SCHEMBL20116406 0.75 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL22358315 0.75 PIK3CD (0.40) PIK3CDSMN1; SMN2ALDH1A1
SCHEMBL20676547 0.75 PIK3CD (0.40) PIK3CDSMN1; SMN2ALDH1A1
SCHEMBL22358352 0.73 NAMPT (0.47) HTR1AHTR1BHTR1F
SCHEMBL20676673 0.71 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1
SCHEMBL26997918 0.70 IRAK4 (0.39) SMN1; SMN2MAPK8MAPK9MAPK10ALDH1A1
SCHEMBL20674704 0.70 USP30 (0.36) PIK3CD

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
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
Send feedback