SCHEMBL30809575

SCHEMBL30809575

COc1nn(C)cc1-c1cn2ncc(C(=O)Nc3cc(C(=O)NCCN4CCCC45CCC5)cnc3C)c2s1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ GPR6 P46095 12/20 0.33
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ FGFR3 P22607 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
SCHEMBL30809453 0.99 PDGFRA (0.52) PDGFRACHRM1HRH3GPR6JAK2
SCHEMBL30809517 0.93 PDGFRA (0.60) PDGFRACHRM1HRH3GPR6JAK2
SCHEMBL24576952 0.93 PDGFRA (0.54) PDGFRACHRM1HRH3JAK2
SCHEMBL29759486 0.93 PDGFRA (0.54) PDGFRACHRM1HRH3JAK2
SCHEMBL30809499 0.91 PDGFRA (0.54) PDGFRACHRM1HRH3JAK2IRAK4
SCHEMBL24578923 0.90 PDGFRA (0.51) PDGFRACHRM1HRH3JAK2
SCHEMBL29759965 0.90 PDGFRA (0.51) PDGFRACHRM1HRH3JAK2
SCHEMBL30809520 0.89 PDGFRA (0.51) PDGFRACHRM1HRH3GPR6IRAK4
SCHEMBL24578922 0.88 PDGFRA (0.53) PDGFRACHRM1HRH3JAK2IRAK4
SCHEMBL29760085 0.88 PDGFRA (0.53) PDGFRACHRM1HRH3JAK2IRAK4

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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