SCHEMBL24577817

SCHEMBL24577817

COCCn1cc(-c2cn3ncc(C(=O)Nc4cc(NC(=O)C5(CN6CCCC6)CC5)cnc4C)c3s2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 6/20 0.37
▸ TBK1 Q9UHD2 6/20 0.37
▸ CHRM1 P11229 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KAT5 Q92993 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.31
▸ MET P08581 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ USP28 Q96RU2 1/20 0.30
▸ USP25 Q9UHP3 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL29759798 0.91 PDGFRA (0.44) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL24577473 0.91 PDGFRA (0.44) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL29760072 0.90 CHRM1 (0.36) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL24577815 0.90 CHRM1 (0.36) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL24577185 0.88 IKBKE (0.39) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL29760142 0.88 IKBKE (0.39) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL30897453 0.88 IKBKE (0.39) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL24577258 0.88 IKBKE (0.39) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL24579086 0.88 IKBKE (0.39) IKBKETBK1CHRM1PDGFRAHRH3
SCHEMBL29759818 0.88 IKBKE (0.39) IKBKETBK1CHRM1PDGFRAHRH3

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
Send feedback