SCHEMBL29696526

SCHEMBL29696526

O=C(NCc1c(F)cccc1C(F)(F)F)c1cc(-n2ccnc2)nc2cn[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 19/20 1.00
▸ PTGES O14684 1/20 0.41

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
SCHEMBL22932617 1.00 CD38 (1.00) CD38PTGES
SCHEMBL29696427 0.88 CD38 (1.00) CD38
SCHEMBL22946899 0.88 CD38 (1.00) CD38
SCHEMBL22947548 0.87 CD38 (1.00) CD38
SCHEMBL29696419 0.87 CD38 (1.00) CD38
SCHEMBL22932793 0.78 CD38 (1.00) CD38
SCHEMBL29696514 0.78 CD38 (1.00) CD38
SCHEMBL29696353 0.78 CD38 (0.77) CD38
SCHEMBL22947565 0.78 CD38 (0.77) CD38
SCHEMBL31484724 0.78 CD38 (0.75) CD38

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-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 — — EP disclosed
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