SCHEMBL24577921

SCHEMBL24577921

COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5CC6CCC5CC6)cnc4C)c3s2)cn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 6/20 0.37
▸ TBK1 Q9UHD2 6/20 0.37
▸ KAT5 Q92993 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ KIT P10721 3/20 0.34
▸ JAK2 O60674 3/20 0.32
▸ JAK1 P23458 3/20 0.32
▸ TYK2 P29597 3/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ BTK Q06187 2/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ TTK P33981 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ POLQ O75417 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ PDGFRA P16234 1/20 0.30
▸ HRH3 Q9Y5N1 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
SCHEMBL30897553 1.00 IKBKE (0.37) IKBKETBK1KAT5USP30KIT
SCHEMBL29760090 0.96 IKBKE (0.36) IKBKETBK1KAT5USP30KIT
SCHEMBL29759787 0.94 IKBKE (0.37) IKBKETBK1KAT5USP30KIT
SCHEMBL24577644 0.94 IKBKE (0.37) IKBKETBK1KAT5USP30KIT
SCHEMBL24578724 0.92 IKBKE (0.39) IKBKETBK1KAT5USP30KIT
SCHEMBL30897458 0.92 IKBKE (0.39) IKBKETBK1KAT5USP30KIT
SCHEMBL29760005 0.90 IKBKE (0.36) IKBKETBK1KAT5USP30KIT
SCHEMBL27185203 0.90 IKBKE (0.36) IKBKETBK1KAT5USP30KIT
SCHEMBL29759789 0.90 IKBKE (0.36) IKBKETBK1KAT5USP30KIT
SCHEMBL27185093 0.90 IKBKE (0.36) IKBKETBK1KAT5USP30KIT

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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