SCHEMBL30224464

SCHEMBL30224464

COc1ncc(-c2cc([C@H]3C[C@@H]3c3cccc4ccccc34)c3nccn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ MTOR P42345 2/20 0.35
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ EGFR P00533 2/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ERBB3 P21860 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL23994016 1.00 SYK (0.36) SYKACP1MTORMTNR1AMTNR1B
SCHEMBL30224517 0.92 MTOR (0.33) SYKACP1MTORPPARDEGFR
SCHEMBL30224245 0.92 MTOR (0.33) SYKACP1MTORMTNR1AMTNR1B
SCHEMBL23992930 0.92 MTOR (0.33) SYKACP1MTORMTNR1AMTNR1B
SCHEMBL25005301 0.92 MTOR (0.33) SYKACP1MTORPPARDEGFR
SCHEMBL30224304 0.90 ACP1 (0.36) SYKACP1MTORPPARDEGFR
SCHEMBL23993543 0.89 ACP1 (0.38) SYKACP1MTORPPARDPTGES2
SCHEMBL30224725 0.89 ACP1 (0.38) SYKACP1MTORPPARDPTGES2
SCHEMBL25005777 0.89 SYK (0.41) SYKACP1MTORPPARDPTGES2
SCHEMBL23994827 0.89 SYK (0.41) SYKACP1MTORPPARDPTGES2

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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