SCHEMBL23994740

SCHEMBL23994740

COc1ncc(-c2cc(C3C[C@@H]3c3ccc(Cl)nc3)c3nccn3n2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 14/20 0.36
▸ TP53 P04637 6/20 0.34
▸ MTOR P42345 1/20 0.33
▸ BRD4 O60885 4/20 0.33
▸ BRD2 P25440 4/20 0.33
▸ BRD3 Q15059 4/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ SYK P43405 1/20 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
SCHEMBL30224472 1.00 MDM2 (0.36) MDM2TP53MTORBRD4BRD2
SCHEMBL23994733 1.00 MDM2 (0.36) MDM2TP53MTORBRD4BRD2
SCHEMBL23993918 0.89 SYK (0.38) MDM2TP53MTORSYK
SCHEMBL23994033 0.89 MTOR (0.35) MDM2TP53MTORSYK
SCHEMBL23994060 0.88 JAK2 (0.35) MDM2TP53MTORSYK
SCHEMBL23994022 0.88 MDM2 (0.40) MDM2TP53
SCHEMBL25005485 0.88 MDM2 (0.41) MDM2TP53
SCHEMBL25005483 0.88 MDM2 (0.41) MDM2TP53
SCHEMBL23994023 0.88 MDM2 (0.41) MDM2TP53
SCHEMBL23995073 0.88 MDM2 (0.40) MDM2TP53

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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