SCHEMBL23992937

SCHEMBL23992937

COc1ncc(-c2cc(C3CC3c3ccc4ncccc4c3)c3nccn3n2)c(OC)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ QPCTL Q9NXS2 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MDM2 Q00987 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ ACP1 P24666 1/20 0.32
▸ MTOR P42345 1/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ MDM4 O15151 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL30224478 1.00 JAK2 (0.39) JAK2JAK3PTK2SLC6A2SLC6A4
SCHEMBL23992936 1.00 JAK2 (0.39) JAK2JAK3PTK2SLC6A2SLC6A4
SCHEMBL23992939 0.93 JAK2 (0.33) JAK2JAK3PTK2QPCTQPCTL
SCHEMBL30224736 0.93 JAK2 (0.33) JAK2JAK3PTK2QPCTQPCTL
SCHEMBL23992940 0.93 JAK2 (0.33) JAK2JAK3PTK2QPCTQPCTL
SCHEMBL30224613 0.91 SLC6A4 (0.36) JAK2JAK3PTK2SLC6A4QPCT
SCHEMBL23992933 0.91 SLC6A4 (0.36) JAK2JAK3PTK2SLC6A4QPCT
SCHEMBL23992932 0.91 SLC6A4 (0.36) JAK2JAK3PTK2SLC6A4QPCT
SCHEMBL23993918 0.88 SYK (0.38) QPCTQPCTLSYKMDM2PPARD
SCHEMBL23993674 0.86 QPCT (0.33) QPCTQPCTLMDM2PPARDMTOR

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
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — WO disclosed
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