SCHEMBL30971083

SCHEMBL30971083

COc1cccc(-c2c(N)c(C(N)=O)nc3c2c(C#N)nn3C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.44
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ PDE4A P27815 2/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ PKMYT1 Q99640 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL30971034 0.87 PKMYT1 (0.36) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL27388209 0.87 PKMYT1 (0.36) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL30971076 0.86 DYRK1A (0.39) DYRK1AMEN1KMT2AIKBKBALDH1A1
SCHEMBL27388782 0.84 DYRK1A (0.43) DYRK1AMEN1KMT2AIKBKBALDH1A1
SCHEMBL30971170 0.84 DYRK1A (0.43) DYRK1AMEN1KMT2AIKBKBALDH1A1
SCHEMBL30971130 0.78 IKBKB (0.40) DYRK1AIKBKBALDH1A1KDM4EHPGD
SCHEMBL30971074 0.76 DYRK1A (0.43) DYRK1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL27388857 0.76 DYRK1A (0.43) DYRK1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL30971168 0.75 PKMYT1 (0.39) MEN1KMT2AIKBKBPDE4APDE4B
SCHEMBL27388280 0.75 PKMYT1 (0.39) MEN1KMT2AIKBKBPDE4APDE4B

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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