SCHEMBL30905556

SCHEMBL30905556

CCOC(=O)c1nc2cccnc2c(-c2cccc(OC)c2C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.39
▸ EED O75530 1/20 0.39
▸ SUZ12 Q15022 1/20 0.39
▸ EZH2 Q15910 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38

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
SCHEMBL27401343 0.88 PKMYT1 (0.40) TDP2MAPTNPSR1ADORA2ABRD4
SCHEMBL30905510 0.88 PKMYT1 (0.40) TDP2MAPTNPSR1ADORA2ABRD4
SCHEMBL27397408 0.88 IKBKB (0.41) MAPTADORA2ABRD4PKMYT1
SCHEMBL30905539 0.88 IKBKB (0.41) MAPTADORA2ABRD4PKMYT1
SCHEMBL30905520 0.87 CACNB4 (0.40) MAPTNPSR1CACNB4CACNA1ACACNA1G
SCHEMBL27401510 0.87 CACNB4 (0.40) MAPTNPSR1CACNB4CACNA1ACACNA1G
SCHEMBL30905489 0.82 GABRG2 (0.42) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL27401986 0.82 GABRG2 (0.42) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30905515 0.76 BRD4 (0.45) TDP2MAPTBRD4ACHE
SCHEMBL27401200 0.76 BRD4 (0.45) TDP2MAPTBRD4ACHE

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-4622967-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-01 — — EP disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
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