SCHEMBL30224725

SCHEMBL30224725

COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc4ccccc34)c3nccn3n2)c(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.38
▸ SYK P43405 2/20 0.35
▸ MTOR P42345 2/20 0.34
▸ P2RX3 P56373 1/20 0.32
▸ BMP4 P12644 2/20 0.32
▸ QPCT Q16769 1/20 0.32
▸ QPCTL Q9NXS2 1/20 0.32
▸ PDE10A Q9Y233 3/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ PPARD Q03181 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
SCHEMBL23993543 1.00 ACP1 (0.38) ACP1SYKMTORP2RX3BMP4
SCHEMBL30224304 0.94 ACP1 (0.36) ACP1SYKMTORP2RX3BMP4
SCHEMBL30224464 0.89 SYK (0.36) ACP1SYKMTORQPCTQPCTL
SCHEMBL23994016 0.89 SYK (0.36) ACP1SYKMTORQPCTQPCTL
SCHEMBL23993918 0.87 SYK (0.38) ACP1SYKMTORQPCTQPCTL
SCHEMBL23994827 0.85 SYK (0.41) ACP1SYKMTORQPCTQPCTL
SCHEMBL25005777 0.85 SYK (0.41) ACP1SYKMTORQPCTQPCTL
SCHEMBL23994182 0.85 SYK (0.37) ACP1SYKMTORQPCTQPCTL
SCHEMBL23993986 0.85 SYK (0.37) ACP1SYKMTORQPCTQPCTL
SCHEMBL30224492 0.85 SYK (0.37) ACP1SYKMTORQPCTQPCTL

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