SCHEMBL30971254

SCHEMBL30971254

COc1ccc(C)c(-c2cc(C(N)=O)nc3c2c(Br)cn3C)c1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 1/20 0.36
▸ GRM2 Q14416 7/20 0.35
▸ NQO2 P16083 2/20 0.34
▸ SYK P43405 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ HSP90AA1 P07900 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
SCHEMBL30971276 0.88 GRM2 (0.37) PKMYT1GRM2SYKHSP90AA1
SCHEMBL30971267 0.88 NQO2 (0.41) PKMYT1GRM2NQO2PIM1PIM3
SCHEMBL30971073 0.87 PKMYT1 (0.39) PKMYT1GRM2NQO2PIM1PIM3
SCHEMBL27388046 0.87 PKMYT1 (0.39) PKMYT1GRM2NQO2PIM1PIM3
SCHEMBL30971263 0.85 GRM2 (0.37) GRM2KMT2AMAPK1PIM1PIM3
SCHEMBL30971091 0.85 GRM2 (0.37) PKMYT1GRM2SMN1; SMN2
SCHEMBL30971220 0.84 GRM2 (0.37) PKMYT1GRM2SYKHSP90AA1
SCHEMBL30971221 0.83 PKMYT1 (0.36) PKMYT1GRM2NQO2KMT2AMEN1
SCHEMBL30971070 0.81 GRM2 (0.39) PKMYT1GRM2SYK
SCHEMBL30971158 0.78 GRM2 (0.39) PKMYT1GRM2NQO2SYKPIM1

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
Send feedback