SCHEMBL30905565

SCHEMBL30905565

COc1ccc(C)c(-c2c(N)c(C(N)=O)cc3nccnc23)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
NNMT P40261 1/20 0.39
PKMYT1 Q99640 2/20 0.39
GPR52 Q9Y2T5 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CSF1R P07333 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL27403269 1.00 KDM4E (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30905517 0.90 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27403268 0.90 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27397994 0.84 PKMYT1 (0.53) KDM4EPKMYT1CDK1SRCLCK
SCHEMBL30905518 0.84 PKMYT1 (0.53) KDM4EPKMYT1CDK1SRCLCK
SCHEMBL27402503 0.84 PARP1 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27402928 0.84 PARP1 (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27403348 0.84 PKMYT1 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30905603 0.84 PKMYT1 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL27400650 0.81 PARP1 (0.43) KDM4ENNMTPKMYT1CDK1GSK3A

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