SCHEMBL25047724

SCHEMBL25047724

COc1cc(C2CCC(n3ccc4c(N)nc(Cl)nc43)C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 6/20 0.37
▸ CHKB Q9Y259 4/20 0.37
▸ PIP4K2A P48426 1/20 0.34
▸ PDE8A O60658 1/20 0.34
▸ ACVR2A P27037 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ CYP17A1 P05093 3/20 0.33
▸ TLR9 Q9NR96 5/20 0.33
▸ TLR7 Q9NYK1 5/20 0.33
▸ CCR2 P41597 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TLR8 Q9NR97 3/20 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
SCHEMBL25048731 0.86 PIK3CA (0.36) CHKACHKBPIP4K2A
SCHEMBL25046781 0.84 CHKA (0.38) CHKACHKB
SCHEMBL25046822 0.79 METTL3 (0.39) —
SCHEMBL25047723 0.79 ACACB (0.31) —
SCHEMBL25048345 0.78 CHKA (0.35) CHKACHKB
SCHEMBL25047669 0.78 CHKA (0.33) CHKACHKB
SCHEMBL25048059 0.78 CHKA (0.32) CHKACHKB
SCHEMBL25049274 0.77 CHKA (0.35) CHKACHKBPDE8A
SCHEMBL25048458 0.77 CHKA (0.34) CHKACHKB
SCHEMBL25048806 0.76 CHKA (0.35) CHKACHKBKCNH2

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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