SCHEMBL30971103

SCHEMBL30971103

CNC(=O)c1cc(-c2c(C)ccc(OC)c2C)c2[nH]ncc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ HPGDS O60760 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL30971258 0.89 UCHL3 (0.34) KITGRM2JAK2JAK1TYK2
SCHEMBL30971043 0.88 GRM2 (0.42) GRM2
SCHEMBL30971143 0.86 PKMYT1 (0.36) CYP1A2BRD4ROCK2PIM1GSK3B
SCHEMBL27387961 0.86 PKMYT1 (0.36) CYP1A2BRD4ROCK2PIM1GSK3B
SCHEMBL30971088 0.76 ADORA3 (0.41) MEN1KMT2AMAPTALDH1A1
SCHEMBL27387956 0.74 PKMYT1 (0.44) GRM2MAPTALDH1A1
SCHEMBL30971122 0.74 PKMYT1 (0.44) GRM2MAPTALDH1A1
SCHEMBL30971268 0.74 ACACB (0.38) HPGDSMAOBMAPTALDH1A1
SCHEMBL27387965 0.71 PKMYT1 (0.36) GRM2JAK2MAPTALDH1A1MAP4K1
SCHEMBL27388133 0.68 PKMYT1 (0.39) CYP1A2BRD4ROCK2PIM1GSK3B

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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