SCHEMBL30079658

SCHEMBL30079658

COc1nccc(C=O)c1N1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ CFTR P13569 2/20 0.43
▸ KDM4D Q6B0I6 2/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ SUV39H2 Q9H5I1 3/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ MAP4K4 O95819 2/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OGFRL1 Q5TC84 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ CTSK P43235 2/20 0.38

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
SCHEMBL20500436 0.84 CKS1B (0.48) CKS1BSKP1SKP2CFTRKDM4D
SCHEMBL30897173 0.83 CKS1B (0.46) CKS1BSKP1SKP2CFTRPIM1
SCHEMBL30079039 0.83 CKS1B (0.46) CKS1BSKP1SKP2CFTRKDM4D
SCHEMBL23658236 0.78 CKS1B (0.46) CKS1BSKP1SKP2CFTRKDM4D
SCHEMBL27142615 0.78 PIM1 (0.47) CKS1BSKP1SKP2KDM4DPIM1
SCHEMBL30897138 0.77 CKS1B (0.48) CKS1BSKP1SKP2CFTRKDM4D
SCHEMBL6222947 0.77 PIM1 (0.59) CKS1BSKP1SKP2PIM1PIM3
SCHEMBL20500390 0.77 CKS1B (0.50) CKS1BSKP1SKP2CFTRPIM1
SCHEMBL20500373 0.76 CKS1B (0.49) CKS1BSKP1SKP2CFTRPIM1
SCHEMBL30078465 0.76 CKS1B (0.49) CKS1BSKP1SKP2CFTRPIM1

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
EP-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 — — EP disclosed
Send feedback