SCHEMBL31226537

SCHEMBL31226537

CCCC(NC(=O)OC(C)(C)C)c1cncc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.41
CTSS P25774 4/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
CTSL P07711 1/20 0.35

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
SCHEMBL31226519 1.00 CTSK (0.41) CTSKCTSSTSHRALDH1A1HSD17B10
SCHEMBL31226504 0.90 ALDH1A1 (0.38) CTSKCTSSTSHRALDH1A1HSD17B10
SCHEMBL31226508 0.90 ALDH1A1 (0.38) CTSKCTSSTSHRALDH1A1HSD17B10
SCHEMBL31226215 0.90 ALDH1A1 (0.38) CTSKCTSSTSHRALDH1A1HSD17B10
SCHEMBL31226370 0.88 HSD17B10 (0.36) CTSKTSHRALDH1A1HSD17B10CYP2D6
SCHEMBL31226231 0.86 ALDH1A1 (0.36) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL31226394 0.86 ALDH1A1 (0.36) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL31226705 0.86 ALDH1A1 (0.36) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL1419503 0.85 CTSK (0.41) CTSKCTSSTSHRALDH1A1MAPT
SCHEMBL31226324 0.85 SYK (0.37) CTSKCTSSTSHRALDH1A1HSD17B10

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-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed