SCHEMBL30224370

SCHEMBL30224370

COc1ncc(-c2cc([C@H]3C[C@@H]3c3cccnc3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.34
▸ MTOR P42345 3/20 0.33
▸ CD274 Q9NZQ7 2/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PDCD1LG2 Q9BQ51 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ PIK3CA P42336 3/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ PTK2 Q05397 2/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ QPCTL Q9NXS2 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 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
SCHEMBL23993568 1.00 SYK (0.34) SYKMTORCD274PDCD1MDM2
SCHEMBL23993616 1.00 SYK (0.34) SYKMTORCD274PDCD1MDM2
SCHEMBL23993918 0.93 SYK (0.38) SYKMTORMDM2PPARDACP1
SCHEMBL23994033 0.91 MTOR (0.35) SYKMTORMDM2PPARDACP1
SCHEMBL30224472 0.87 MDM2 (0.36) SYKMTORMDM2
SCHEMBL23994740 0.87 MDM2 (0.36) SYKMTORMDM2
SCHEMBL23994733 0.87 MDM2 (0.36) SYKMTORMDM2
SCHEMBL23994950 0.87 PPARD (0.34) SYKMTORMDM2PPARD
SCHEMBL30224617 0.87 PPARD (0.34) SYKMTORMDM2PPARD
SCHEMBL23994162 0.86 MTOR (0.31) SYKMTORMDM2

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
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