SCHEMBL21178484

SCHEMBL21178484

CC(C)(O)C#Cc1cccc2nc(CCNC(=O)O)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.43
PIK3CD O00329 6/20 0.41
PIK3CA P42336 5/20 0.41
PIK3CB P42338 5/20 0.41
PIK3CG P48736 5/20 0.41
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21178592 0.85 PIK3CD (0.46) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21178426 0.84 PIK3CD (0.48) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15818372 0.84 PDE10A (0.44) PDE10APIK3CDPIK3CBPIK3CGMEN1
SCHEMBL15818242 0.82 PIK3CD (0.55) PDE10APIK3CDPIK3CGMEN1BLM
SCHEMBL15818204 0.80 PDE10A (0.45) PDE10APIK3CDPIK3CAPIK3CGMEN1
SCHEMBL21178507 0.80 PIK3CD (0.45) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15818926 0.79 PDE10A (0.48) PDE10APIK3CDMEN1BLMKMT2A
SCHEMBL16584717 0.79 PDE10A (0.53) PDE10APIK3CDALDH1A1
SCHEMBL15818416 0.79 PDE10A (0.45) PDE10APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15818773 0.79 PDE10A (0.45) PDE10APIK3CDMEN1BLMKMT2A

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
EP-3740468-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-11-25 EP disclosed
WO-2019143874-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-07-25 WO disclosed