SCHEMBL30971180

SCHEMBL30971180

COc1cccc(-c2cc(C(N)=O)nc3c2c(C#N)cn3C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.43
▸ GRM2 Q14416 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ EIF2AK3 Q9NZJ5 1/20 0.37
▸ XDH P47989 2/20 0.37
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ BCAT1 P54687 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PKMYT1 Q99640 2/20 0.34
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL30971165 0.88 GRM2 (0.41) GRM2PKMYT1MEN1KMT2A
SCHEMBL27388051 0.88 GRM2 (0.41) GRM2PKMYT1MEN1KMT2A
SCHEMBL30971091 0.86 GRM2 (0.37) GRM2SMN1; SMN2EIF2AK3XDHKDM4E
SCHEMBL30971263 0.85 GRM2 (0.37) DYRK1AGRM2EIF2AK3ALDH1A1SCN9A
SCHEMBL30971170 0.81 DYRK1A (0.43) DYRK1ASMN1; SMN2EIF2AK3ALDH1A1PARP1
SCHEMBL27388782 0.81 DYRK1A (0.43) DYRK1ASMN1; SMN2EIF2AK3ALDH1A1PARP1
SCHEMBL30971301 0.78 GRM2 (0.39) DYRK1AGRM2ALDH1A1SCN9AKDM4E
SCHEMBL30971066 0.78 PKMYT1 (0.39) GRM2PKMYT1MEN1KMT2A
SCHEMBL27387968 0.78 PKMYT1 (0.39) GRM2PKMYT1MEN1KMT2A
SCHEMBL30971074 0.76 DYRK1A (0.43) DYRK1ASMN1; SMN2EIF2AK3ALDH1A1KDM4E

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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