SCHEMBL24578969

SCHEMBL24578969

COC(=O)c1cc(C#N)c(NC(=O)c2cnn3cc(-c4cnn(C)c4)sc23)s1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 16/20 0.36
▸ FGFR4 P22455 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL24577880 0.87 HDAC6 (0.36) HDAC6ALDH1A1
SCHEMBL24578933 0.86 HDAC6 (0.35) HDAC6ALDH1A1
SCHEMBL24578875 0.84 EPHB3 (0.35) FGFR4STAT3NPC1ALDH1A1RAB9A
SCHEMBL24578499 0.80 PDGFRA (0.40) RETFGFR4
SCHEMBL24577081 0.80 HDAC6 (0.37) HDAC6
SCHEMBL24578458 0.78 HDAC6 (0.36) HDAC6
SCHEMBL24577161 0.77 HDAC6 (0.39) HDAC6
SCHEMBL24577029 0.74 HDAC6 (0.37) HDAC6
SCHEMBL24577338 0.71 HDAC6 (0.39) HDAC6
SCHEMBL24576968 0.71 BRD4 (0.41) HDAC6

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