SCHEMBL18575668

SCHEMBL18575668

O=C1NCC=CCN1[C@@H]1OC(CO)[C@@H](O)C1(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDA P32320 12/20 1.00
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44

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
SCHEMBL587511 1.00 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL13030857 1.00 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL586883 1.00 CDA (1.00) CDAPDE4DPDE3ASLC29A1
SCHEMBL13145227 0.86 CDA (0.75) CDAPDE4DPDE3ASLC29A1
SCHEMBL14931007 0.80 CDA (0.67) CDAPDE4DPDE3ASLC29A1
SCHEMBL13030835 0.79 CDA (0.65) CDAPDE4DPDE3ASLC29A1
SCHEMBL23227176 0.78 CDA (0.67) CDAPDE4DPDE3ASLC29A1
SCHEMBL171923 0.78 CDA (0.67) CDAPDE4DPDE3ASLC29A1
SCHEMBL20788791 0.78 CDA (0.67) CDAPDE4DPDE3ASLC29A1
SCHEMBL23467212 0.78 CDA (0.67) CDAPDE4DPDE3ASLC29A1

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-2416780-B1 COMBINATION OF DECITABINE WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 — — EP disclosed
EP-2416781-B1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 — — EP disclosed
EP-2416781-B1 COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER OTSUKA PHARMA CO LTD (JP) 2017-03-08 — — EP disclosed
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