SCHEMBL29760042

SCHEMBL29760042

Cc1ncc(NC(=O)CN2CC3(COC3)C2)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ IRAK4 Q9NWZ3 10/20 0.32
▸ PDGFRA P16234 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ OGA O60502 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CSF1R P07333 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ CD38 P28907 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
SCHEMBL27185330 1.00 PDCD1 (0.33) PDCD1CD274IRAK4PDGFRACHRM1
SCHEMBL27184975 0.93 IRAK4 (0.34) IRAK4PDGFRACHRM1HRH3TSHR
SCHEMBL29759961 0.93 IRAK4 (0.34) IRAK4PDGFRACHRM1HRH3TSHR
SCHEMBL24577265 0.91 WNT1 (0.37) IRAK4PDGFRACHRM1HRH3OGA
SCHEMBL29759648 0.91 WNT1 (0.37) IRAK4PDGFRACHRM1HRH3OGA
SCHEMBL24577035 0.89 WNT1 (0.34) IRAK4PDGFRACHRM1HRH3OGA
SCHEMBL29759703 0.89 WNT1 (0.34) IRAK4PDGFRACHRM1HRH3OGA
SCHEMBL29759593 0.88 SIGMAR1 (0.36) PDGFRACHRM1HRH3OGA
SCHEMBL24576943 0.88 SIGMAR1 (0.36) PDGFRACHRM1HRH3OGA
SCHEMBL24577378 0.88 PDCD1 (0.35) PDCD1CD274IRAK4PDGFRACHRM1

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 2 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
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 — — WO disclosed
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