SCHEMBL24577482

SCHEMBL24577482

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 7/20 0.43
▸ TBK1 Q9UHD2 7/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ KAT5 Q92993 1/20 0.35
▸ CSF1R P07333 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32

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
SCHEMBL24578953 0.93 IKBKE (0.44) IKBKETBK1KAT5CSF1RKIT
SCHEMBL29759532 0.91 IKBKE (0.42) IKBKETBK1KAT5CSF1RKIT
SCHEMBL24577285 0.91 IKBKE (0.42) IKBKETBK1KAT5CSF1RKIT
SCHEMBL24577629 0.90 IKBKE (0.41) IKBKETBK1KAT5CSF1RKIT
SCHEMBL29759547 0.90 IKBKE (0.41) IKBKETBK1KAT5CSF1RKIT
SCHEMBL24577335 0.90 IKBKE (0.41) IKBKETBK1IRAK4KAT5CSF1R
SCHEMBL29759874 0.89 IKBKE (0.40) IKBKETBK1IRAK4KAT5CSF1R
SCHEMBL24577220 0.89 IKBKE (0.40) IKBKETBK1IRAK4KAT5CSF1R
SCHEMBL24578823 0.88 IKBKE (0.48) IKBKETBK1IRAK4KAT5JAK1
SCHEMBL29759699 0.88 IKBKE (0.48) IKBKETBK1IRAK4KAT5JAK1

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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