SCHEMBL31599754

SCHEMBL31599754

CC(C)CNc1cc(Cl)ncc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
HRH4 Q9H3N8 5/20 0.35
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
IDO1 P14902 1/20 0.32
MAP4K4 O95819 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
SCHEMBL3449998 0.81 KDM4E (0.37) KDM4ETSHR
SCHEMBL15740568 0.77 KAT2B (0.37)
SCHEMBL15749026 0.75 TDP1 (0.36) TSHRHCAR3
SCHEMBL12456743 0.74 UHRF1 (0.34) KDM4EMAP4K4
SCHEMBL24270763 0.74 ALDH1A1 (0.44) KDM4EHCAR3
SCHEMBL29492781 0.74 ALDH1A1 (0.44) KDM4EHCAR3
SCHEMBL31599717 0.74 MAPT (0.48) ESR1MEN1KMT2A
SCHEMBL20529705 0.73 IL1B (0.31) KDM4EMEN1KMT2A
SCHEMBL15749318 0.71 KDM4E (0.51) KDM4E
SCHEMBL15740528 0.71 IDH1 (0.37)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111251-A1 COMPOUNDS THAT INHIBIT POLO-LIKE KINASE 4 EXELIXIS, INC. (US) 2025-05-30 WO disclosed