SCHEMBL23994841

SCHEMBL23994841

COc1ncc(-c2cc(C3C[C@@H]3Cc3ccccc3)c3nccn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ MTOR P42345 1/20 0.35
▸ ACP1 P24666 1/20 0.34
▸ PDE10A Q9Y233 8/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ QPCT Q16769 1/20 0.31

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
SCHEMBL23994838 1.00 SYK (0.36) SYKFAAHCES1MTORACP1
SCHEMBL23993207 0.91 MDM2 (0.37) PDE10A
SCHEMBL30224137 0.91 MDM2 (0.37) PDE10A
SCHEMBL23993117 0.87 PDE10A (0.35) SYKMTORPDE10APPARD
SCHEMBL29467425 0.87 MTOR (0.36) SYKMTORACP1PDE10APPARD
SCHEMBL23993918 0.85 SYK (0.38) SYKFAAHCES1MTORACP1
SCHEMBL25005777 0.83 SYK (0.41) SYKFAAHCES1MTORACP1
SCHEMBL23994827 0.83 SYK (0.41) SYKFAAHCES1MTORACP1
SCHEMBL23993986 0.83 SYK (0.37) SYKMTORACP1PDE10APPARD
SCHEMBL23994182 0.83 SYK (0.37) SYKMTORACP1PDE10APPARD

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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