SCHEMBL30699126

SCHEMBL30699126

[2H]C([2H])([2H])Nc1nccc2cc(NC(=O)C3CC3)ncc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.53
▸ ABL1 P00519 14/20 0.51
▸ GSK3B P49841 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ TYK2 P29597 1/20 0.47

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
SCHEMBL30699125 1.00 MAP4K1 (0.53) MAP4K1ABL1GSK3BJAK2TYK2
SCHEMBL30698984 0.91 MAP4K1 (0.56) MAP4K1ABL1GSK3BJAK2TYK2
SCHEMBL27037322 0.91 MAP4K1 (0.56) MAP4K1ABL1GSK3BJAK2TYK2
SCHEMBL30698997 0.87 MAP4K1 (0.52) MAP4K1ABL1TYK2
SCHEMBL30698569 0.86 MAP4K1 (0.53) MAP4K1ABL1
SCHEMBL27037564 0.83 MAP4K1 (0.56) MAP4K1ABL1
SCHEMBL30699133 0.83 MAP4K1 (0.56) MAP4K1ABL1
SCHEMBL27072155 0.81 MAP4K1 (0.53) MAP4K1ABL1GSK3BJAK2TYK2
SCHEMBL30698801 0.80 MAP4K1 (0.60) MAP4K1ABL1GSK3B
SCHEMBL27037613 0.80 MAP4K1 (0.60) MAP4K1ABL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 — — WO disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 — — WO disclosed
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