SCHEMBL29759703

SCHEMBL29759703

Cc1ncc(NC(=O)CN2CCC3(CC3)C2)cc1NC(=O)c1cnn2cc(Br)sc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ DRD3 P35462 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ OGA O60502 12/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL24577035 1.00 WNT1 (0.34) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24576943 0.97 SIGMAR1 (0.36) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759593 0.97 SIGMAR1 (0.36) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759637 0.95 WNT1 (0.39) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL24577897 0.95 WNT1 (0.39) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759639 0.93 CHRM1 (0.36) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL29759697 0.92 CHRM1 (0.35) WNT1GSK3BDYRK1ACHRM1PDGFRA
SCHEMBL27185330 0.89 PDCD1 (0.33) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29760042 0.89 PDCD1 (0.33) CHRM1PDGFRAHRH3OGAIRAK4
SCHEMBL29759961 0.89 IRAK4 (0.34) WNT1GSK3BDYRK1ACHRM1PDGFRA

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
Send feedback