SCHEMBL23728857

SCHEMBL23728857

Cn1cc(Nc2nc(NCCCNC(=O)OC(C)(C)C)cn2C)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
BRD4 O60885 14/20 0.39
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
MC4R P32245 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ADORA2B P29275 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL23728785 0.91 STK17B (0.40) STK17BSTK17ABRD4ADORA3ADORA2A
SCHEMBL28984133 0.80 HDAC1 (0.42) ADORA3
SCHEMBL23728790 0.79 STK17B (0.48) STK17BSTK17ABRD4ADORA3ADORA2A
SCHEMBL23728900 0.78 MC4R (0.35) MC4RMEN1GAAKMT2A
SCHEMBL23728901 0.76 TOP1 (0.33) MC4R
SCHEMBL31614509 0.75 CA1 (0.54) ADORA3MEN1GAAKMT2A
SCHEMBL23728754 0.74 P2RX3 (0.42) MC4RPIM2MEN1KMT2A
Hydrochloric Acid SCHEMBL23728767 0.73 P2RX3 (0.41) MC4RPIM2MEN1KMT2A
SCHEMBL23728949 0.73 MEN1 (0.33) MC4RMEN1GAAKMT2A
SCHEMBL3983639 0.73 CA1 (0.45) ADORA3MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384506-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2024-06-19 EP disclosed
WO-2023014793-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2023-02-09 WO disclosed
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed