SCHEMBL29760255

SCHEMBL29760255

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 6/20 0.44
▸ TBK1 Q9UHD2 6/20 0.44
▸ PDGFRA P16234 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KAT5 Q92993 1/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLQ O75417 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TTK P33981 1/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ SIK1 P57059 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
SCHEMBL30809563 0.91 PDGFRA (0.38) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL29759699 0.89 IKBKE (0.48) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL24578823 0.89 IKBKE (0.48) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL24578953 0.88 IKBKE (0.44) IKBKETBK1PDGFRACHRM1HRH3
Hydrochloric Acid SCHEMBL29759717 0.88 IKBKE (0.47) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL24577482 0.88 IKBKE (0.43) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL24577574 0.87 PDGFRA (0.46) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL30809475 0.86 PDGFRA (0.37) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL24577285 0.85 IKBKE (0.42) IKBKETBK1PDGFRACHRM1HRH3
SCHEMBL29759532 0.85 IKBKE (0.42) IKBKETBK1PDGFRACHRM1HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 — — EP disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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