SCHEMBL24577623

SCHEMBL24577623

COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CCN5CCCC5(C)C)cnc4C)c3s2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 2/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ IKBKE Q14164 6/20 0.37
▸ TBK1 Q9UHD2 6/20 0.37
▸ KAT5 Q92993 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL29759459 1.00 PDGFRA (0.46) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29760171 0.94 PDGFRA (0.44) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577744 0.94 PDGFRA (0.44) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29759626 0.94 PDGFRA (0.47) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29759498 0.91 PDGFRA (0.54) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577614 0.91 PDGFRA (0.54) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29760109 0.91 IKBKE (0.37) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577473 0.90 PDGFRA (0.44) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL29759798 0.90 PDGFRA (0.44) PDGFRACHRM1HRH3IKBKETBK1
SCHEMBL24577474 0.89 PDGFRA (0.43) PDGFRACHRM1HRH3IKBKETBK1

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