SCHEMBL24577436

SCHEMBL24577436

CC1NC=C(NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)C=C1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 5/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ NAMPT P43490 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL24577305 0.84 LCK (0.31) IRAK4
SCHEMBL24579060 0.81 KDM1A (0.31) —
SCHEMBL29759651 0.80 IDO1 (0.36) GLSIDO1TDO2JAK1JAK3
SCHEMBL27185073 0.80 IDO1 (0.36) GLSIDO1TDO2JAK1JAK3
SCHEMBL24577394 0.80 POLB (0.33) POLB
SCHEMBL24577488 0.79 — —
SCHEMBL24579106 0.78 RAB9A (0.34) MAPTPOLB
SCHEMBL24578956 0.78 — —
SCHEMBL24578957 0.78 RAB9A (0.34) POLB
SCHEMBL24579051 0.77 IRAK4 (0.31) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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