SCHEMBL29759651

SCHEMBL29759651

Cc1ncc(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ GLS O94925 5/20 0.36
▸ TP53 P04637 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ BACE1 P56817 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL27185073 1.00 IDO1 (0.36) IDO1TDO2IRAK4JAK1JAK3
SCHEMBL27184993 0.85 POLQ (0.35) IRAK4JAK1GLSTP53MAPT
SCHEMBL29760088 0.85 POLQ (0.35) IRAK4JAK1GLSTP53MAPT
SCHEMBL29759574 0.83 USP30 (0.40) IDO1TDO2IRAK4GLSTP53
SCHEMBL29759955 0.83 USP30 (0.40) IDO1TDO2IRAK4GLSTP53
SCHEMBL24579038 0.83 USP30 (0.40) IDO1TDO2IRAK4GLSTP53
SCHEMBL24577987 0.83 LCK (0.37) IRAK4
SCHEMBL24579053 0.81 KDM1A (0.35) IRAK4GAA
SCHEMBL29759657 0.81 KDM1A (0.35) IRAK4GAA
SCHEMBL24577436 0.80 GLS (0.36) IDO1TDO2IRAK4JAK1JAK3

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-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 — — EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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