SCHEMBL30809548

SCHEMBL30809548

Cc1ncc(C(=O)NCCN2CCCC23CCC3)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ TYK2 P29597 2/20 0.32

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
SCHEMBL30809534 0.94 PDGFRA (0.56) PDGFRACHRM1HRH3IRAK4TYK2
SCHEMBL29760120 0.86 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4TYK2
SCHEMBL24577244 0.86 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4TYK2
SCHEMBL30809439 0.85 PDGFRA (0.50) PDGFRACHRM1HRH3
SCHEMBL30809565 0.85 PDGFRA (0.50) PDGFRACHRM1HRH3
SCHEMBL30809476 0.84 PDGFRA (0.54) PDGFRACHRM1HRH3
SCHEMBL24576948 0.84 PDGFRA (0.53) PDGFRACHRM1HRH3
SCHEMBL29759486 0.84 PDGFRA (0.54) PDGFRACHRM1HRH3
SCHEMBL24576952 0.84 PDGFRA (0.54) PDGFRACHRM1HRH3
SCHEMBL29759488 0.84 PDGFRA (0.53) PDGFRACHRM1HRH3

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-2023247596-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 — — WO claimed
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