SCHEMBL30971043

SCHEMBL30971043

COc1ccc(C)c(-c2cc(C(N)=O)nc3cn[nH]c23)c1C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 13/20 0.42
▸ PKMYT1 Q99640 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GRK2 P25098 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL30971258 0.90 UCHL3 (0.34) GRM2KDM4ELMNA
SCHEMBL30971103 0.88 CYP1A2 (0.35) GRM2
SCHEMBL27387956 0.86 PKMYT1 (0.44) GRM2PKMYT1GRK2
SCHEMBL30971122 0.86 PKMYT1 (0.44) GRM2PKMYT1GRK2
SCHEMBL30971268 0.81 ACACB (0.38) PKMYT1KDM4E
SCHEMBL30971088 0.79 ADORA3 (0.41) KDM4E
SCHEMBL27401560 0.78 GRM2 (0.58) GRM2KDM4E
SCHEMBL30971182 0.77 GRM2 (0.41) GRM2PKMYT1
SCHEMBL30971143 0.76 PKMYT1 (0.36) PKMYT1KDM4EGRK2
SCHEMBL27387961 0.76 PKMYT1 (0.36) PKMYT1KDM4EGRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 — — EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
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