SCHEMBL30905482

SCHEMBL30905482

COc1ccc(C)c(-c2c(N)c(C(N)=O)nc3ccccc23)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.47
▸ CDK9 P50750 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ MAP2K3 P46734 1/20 0.41
▸ MAP2K6 P52564 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ MAP3K19 Q56UN5 1/20 0.41
▸ NEK10 Q6ZWH5 1/20 0.41
▸ IKBKB O14920 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 4/20 0.39

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
SCHEMBL27401714 1.00 PKMYT1 (0.47) PKMYT1CDK9DYRK1AALOX15LCK
SCHEMBL27401713 0.87 KMT2A (0.46) PKMYT1TP53HSD17B10ALDH1A1KDM4E
SCHEMBL30905584 0.87 KMT2A (0.46) PKMYT1TP53HSD17B10ALDH1A1KDM4E
SCHEMBL30905495 0.84 PKMYT1 (0.44) PKMYT1LCKMAP2K3MAP2K6BTK
SCHEMBL30905494 0.84 PKMYT1 (0.44) PKMYT1LCKMAP2K3MAP2K6BTK
SCHEMBL27397758 0.84 PKMYT1 (0.44) PKMYT1LCKMAP2K3MAP2K6BTK
SCHEMBL27401362 0.83 PKMYT1 (0.44) PKMYT1IKBKBALDH1A1KDM4ESMN1; SMN2
SCHEMBL26606785 0.77 IKBKB (0.53) CDK9DYRK1AALOX15IKBKBTP53
SCHEMBL27401560 0.76 GRM2 (0.58) ALOX15ALDH1A1KDM4E
SCHEMBL30971039 0.75 PKMYT1 (0.38) PKMYT1ALDH1A1KDM4EMAPT

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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