SCHEMBL30224617

SCHEMBL30224617

COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc4cnccc4c3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.34
▸ MDM2 Q00987 2/20 0.32
▸ MTOR P42345 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ TP53 P04637 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
SCHEMBL23994950 1.00 PPARD (0.34) PPARDMDM2MTORSYKTP53
SCHEMBL23994033 0.90 MTOR (0.35) PPARDMDM2MTORSYKTP53
SCHEMBL23993616 0.87 SYK (0.34) PPARDMDM2MTORSYK
SCHEMBL30224370 0.87 SYK (0.34) PPARDMDM2MTORSYK
SCHEMBL23993568 0.87 SYK (0.34) PPARDMDM2MTORSYK
SCHEMBL23993918 0.86 SYK (0.38) PPARDMDM2MTORSYKTP53
SCHEMBL30224718 0.86 RAF1 (0.32) PPARDMDM2MTOR
SCHEMBL30224623 0.86 RAF1 (0.32) PPARDMDM2MTOR
SCHEMBL23994060 0.86 JAK2 (0.35) PPARDMDM2MTORSYKTP53
SCHEMBL23992937 0.85 JAK2 (0.39) PPARDMDM2MTORSYKTP53

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-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
Send feedback