SCHEMBL30809534

SCHEMBL30809534

Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ TYK2 P29597 1/20 0.31

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
SCHEMBL30809548 0.94 PDGFRA (0.48) PDGFRACHRM1HRH3IRAK4TYK2
SCHEMBL29760120 0.93 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4TYK2
SCHEMBL24577244 0.93 PDGFRA (0.59) PDGFRACHRM1HRH3IRAK4TYK2
SCHEMBL30809515 0.87 PDGFRA (0.56) PDGFRACHRM1HRH3IRAK4
SCHEMBL24579076 0.86 CHRM1 (0.40) PDGFRACHRM1HRH3
SCHEMBL29759802 0.86 CHRM1 (0.40) PDGFRACHRM1HRH3
SCHEMBL24578079 0.85 PDGFRA (0.64) PDGFRACHRM1HRH3IRAK4
SCHEMBL29760020 0.85 PDGFRA (0.64) PDGFRACHRM1HRH3IRAK4
SCHEMBL24578594 0.85 PDGFRA (0.66) PDGFRACHRM1HRH3IRAK4
SCHEMBL29759529 0.85 PDGFRA (0.66) PDGFRACHRM1HRH3IRAK4

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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