SCHEMBL30905489

SCHEMBL30905489

CCOC(=O)c1nc2cc(C)ccc2c(-c2cccc(OC)c2C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ 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

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
SCHEMBL27401986 1.00 GABRG2 (0.42) GABRG2GABRB3GABRA2MAPTMEN1
SCHEMBL27402009 0.88 GRM2 (0.43) GABRG2GABRB3GABRA2MAPTMEN1
SCHEMBL30905535 0.88 GRM2 (0.43) GABRG2GABRB3GABRA2MAPTMEN1
SCHEMBL30905556 0.82 TDP2 (0.39) MAPTCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30905520 0.77 CACNB4 (0.40) MAPTMEN1KMT2AALDH1A1CACNB4
SCHEMBL27401510 0.77 CACNB4 (0.40) MAPTMEN1KMT2AALDH1A1CACNB4
SCHEMBL30905584 0.76 KMT2A (0.46) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL27401713 0.76 KMT2A (0.46) MAPTMEN1KMT2ATP53ALDH1A1
SCHEMBL27402006 0.75 KDM4E (0.45) MAPTKMT2ATP53ALDH1A1ELANE
SCHEMBL30905481 0.73 GRM2 (0.46) ACHE

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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