SCHEMBL31518429

SCHEMBL31518429

Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.55
▸ JAK3 P52333 1/20 0.55
▸ SUV39H2 Q9H5I1 12/20 0.51
▸ MAP4K4 O95819 2/20 0.47
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL31539345 1.00 BTK (0.55) BTKJAK3SUV39H2MAP4K4CKS1B
SCHEMBL24851725 0.89 BTK (0.57) BTKJAK3SUV39H2MAP4K4CKS1B
SCHEMBL28282860 0.87 BTK (0.51) BTKJAK3SUV39H2MAP4K4CKS1B
SCHEMBL29182901 0.85 SUV39H2 (0.49) BTKJAK3SUV39H2MAP4K4CKS1B
SCHEMBL29182903 0.85 SUV39H2 (0.49) BTKJAK3SUV39H2MAP4K4CKS1B
SCHEMBL12484356 0.85 BTK (0.51) BTKJAK3SUV39H2CKS1BSKP1
SCHEMBL12484351 0.85 BTK (0.51) BTKJAK3SUV39H2CKS1BSKP1
SCHEMBL24851466 0.83 CKS1B (0.54) BTKJAK3SUV39H2MAP4K4CKS1B
SCHEMBL31741685 0.83 LMNA (0.57) BTKJAK3SUV39H2MAP4K4
SCHEMBL1588740 0.83 JAK3 (0.55) BTKJAK3SUV39H2MAP4K4CKS1B

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-2025085848-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-04-24 — — WO disclosed
WO-2025054132-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-03-13 — — WO disclosed
Send feedback