SCHEMBL29760161

SCHEMBL29760161

Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ IRAK4 Q9NWZ3 13/20 0.32
▸ USP14 P54578 1/20 0.32
▸ CSF1R P07333 1/20 0.30
▸ KIT P10721 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
SCHEMBL24577274 0.92 PDGFRA (0.48) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL29759868 0.92 CHRM1 (0.40) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL29759864 0.92 CHRM1 (0.40) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL24577421 0.92 CHRM1 (0.40) PDGFRACHRM1HRH3IRAK4CSF1R
SCHEMBL29759595 0.90 CHRM1 (0.38) PDGFRACHRM1HRH3
SCHEMBL24579068 0.89 CHRM1 (0.37) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL29759917 0.89 CHRM1 (0.37) PDGFRACHRM1HRH3CSF1RKIT
SCHEMBL24579109 0.88 ALDH1A1 (0.39) PDGFRACHRM1HRH3
SCHEMBL29759935 0.88 ALDH1A1 (0.39) PDGFRACHRM1HRH3
SCHEMBL29759450 0.88 PDGFRA (0.53) PDGFRACHRM1HRH3IRAK4CSF1R

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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