SCHEMBL30971160

SCHEMBL30971160

COc1ccc(C)c(-c2cc(C(N)=O)nc3c2c(C#N)c(C)n3C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ BRAF P15056 1/20 0.37
▸ HSD17B10 Q99714 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ KDM4E B2RXH2 6/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKMYT1 Q99640 1/20 0.35
▸ PIM1 P11309 3/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRM2 Q14416 3/20 0.33
▸ HTT P42858 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
SCHEMBL30971078 0.88 PKMYT1 (0.39) PKMYT1PIM1PIM2PIM3GRM2
SCHEMBL27388049 0.88 PKMYT1 (0.39) PKMYT1PIM1PIM2PIM3GRM2
SCHEMBL30971221 0.85 PKMYT1 (0.36) DYRK1AKDM4EMEN1KMT2APKMYT1
SCHEMBL30971091 0.82 GRM2 (0.37) KDM4EPKMYT1SMN1; SMN2GRM2
SCHEMBL30971031 0.78 GRM2 (0.36) HSD17B10NPSR1KDM4EHPGDMEN1
SCHEMBL30971158 0.78 GRM2 (0.39) HSD17B10PKMYT1PIM1PIM2PIM3
SCHEMBL30971048 0.77 GRM2 (0.35) BRAFHSD17B10KDM4EHPGDMEN1
SCHEMBL30971254 0.77 PKMYT1 (0.36) MEN1KMT2APKMYT1PIM1PIM2
SCHEMBL30971267 0.77 NQO2 (0.41) HPGDPKMYT1PIM1PIM2PIM3
SCHEMBL30971070 0.76 GRM2 (0.39) HSD17B10HPGDPKMYT1GRM2

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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