SCHEMBL24577847

SCHEMBL24577847

CC1NC=C(NC(=O)CNC2CCCC2)C=C1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 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
SCHEMBL24579051 0.98 IRAK4 (0.31) IRAK4ALDH1A1MEN1KMT2A
SCHEMBL24579060 0.88 KDM1A (0.31) —
SCHEMBL24577488 0.85 — —
SCHEMBL24577841 0.85 GSK3B (0.37) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL24579181 0.85 — —
SCHEMBL24579106 0.84 RAB9A (0.34) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL24578956 0.84 — —
SCHEMBL24578957 0.84 RAB9A (0.34) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL24577394 0.83 POLB (0.33) —
SCHEMBL24577267 0.81 WNT1 (0.33) —

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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