SCHEMBL30224642

SCHEMBL30224642

COc1ncc(-c2cc(OC3CC3)c3nccn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 8/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ QPCT Q16769 1/20 0.35
▸ QPCTL Q9NXS2 1/20 0.35
▸ MTOR P42345 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EPHB4 P54760 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ ACP1 P24666 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ MDM2 Q00987 2/20 0.33

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
SCHEMBL23994516 1.00 SYK (0.36) SYKPPARDQPCTQPCTLMTOR
SCHEMBL23991557 0.84 MTOR (0.38) SYKPPARDQPCTQPCTLMTOR
SCHEMBL30224465 0.84 MTOR (0.38) SYKPPARDQPCTQPCTLMTOR
SCHEMBL23992848 0.83 MTOR (0.39) SYKPPARDQPCTQPCTLMTOR
SCHEMBL25005507 0.81 MDM2 (0.38) SYKPPARDQPCTQPCTLMTOR
SCHEMBL30224213 0.80 SYK (0.38) SYKPPARDQPCTQPCTLMTOR
SCHEMBL23994425 0.80 SYK (0.38) SYKPPARDQPCTQPCTLMTOR
SCHEMBL23994741 0.79 SYK (0.41) SYKQPCTQPCTLCYP1A2
SCHEMBL23994473 0.79 MTOR (0.39) SYKPPARDQPCTQPCTLMTOR
SCHEMBL29467431 0.78 MTOR (0.34) SYKPPARDQPCTQPCTLMTOR

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