SCHEMBL30971301

SCHEMBL30971301

COc1cccc(-c2cc(C(N)=O)nc3c2ccn3C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 10/20 0.39
▸ DYRK1A Q13627 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TUBB4A P04350 1/20 0.36

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
SCHEMBL30971070 0.84 GRM2 (0.39) GRM2HSD17B10GAAHPGD
SCHEMBL30971263 0.81 GRM2 (0.37) GRM2DYRK1APIM2HSD17B10ALDH1A1
SCHEMBL30971180 0.78 DYRK1A (0.43) GRM2DYRK1AALDH1A1KDM4ENPSR1
SCHEMBL30971261 0.77 DYRK1A (0.44) DYRK1AHSD17B10CD274ALDH1A1KDM4E
SCHEMBL30905524 0.74 PARP1 (0.39) GRM2HSD17B10ALDH1A1KMT2A
SCHEMBL27397852 0.74 PARP1 (0.39) GRM2HSD17B10ALDH1A1KMT2A
SCHEMBL30971117 0.74 PKMYT1 (0.42) GRM2
SCHEMBL27387964 0.74 PKMYT1 (0.42) GRM2
SCHEMBL20674243 0.72 LCK (0.41) GRM2DYRK1APRKD3CLK2PRKD2
SCHEMBL30971335 0.72 GRM2 (0.38) GRM2ALDH1A1TUBB4ATUBBTUBA3C

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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