SCHEMBL30224588

SCHEMBL30224588

COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccc(F)cc3)c3nc(C4CC4)cn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.34
▸ MDM2 Q00987 10/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTOR P42345 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ TP53 P04637 5/20 0.32
▸ MDM4 O15151 1/20 0.32
▸ ACP1 P24666 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ BRD2 P25440 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
SCHEMBL23994025 1.00 RIPK1 (0.34) RIPK1MDM2PPARDALDH1A1CYP1A2
SCHEMBL23993449 0.90 PPARD (0.34) MDM2PPARDALDH1A1CYP1A2TSHR
SCHEMBL30224763 0.86 RIPK1 (0.37) RIPK1MDM2PPARDALDH1A1CYP1A2
SCHEMBL23993997 0.86 RIPK1 (0.37) RIPK1MDM2PPARDALDH1A1CYP1A2
SCHEMBL23994177 0.85 MDM2 (0.39) MDM2PPARDMTORTP53MDM4
SCHEMBL30224155 0.84 MTOR (0.38) MDM2PPARDALDH1A1CYP1A2MTOR
SCHEMBL23992885 0.84 MTOR (0.38) MDM2PPARDALDH1A1CYP1A2MTOR
SCHEMBL30224921 0.83 RIPK1 (0.36) RIPK1MDM2PPARDALDH1A1CYP1A2
SCHEMBL23993472 0.83 MTOR (0.33) RIPK1MDM2ALDH1A1CYP1A2TSHR
SCHEMBL23994933 0.82 RIPK1 (0.36) RIPK1MDM2PPARDALDH1A1TP53

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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