SCHEMBL25048480

SCHEMBL25048480

COc1cc(-c2cnsc2)cc(C2CCC(n3ccc4c(N)nc(Cl)nc43)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 4/20 0.34
▸ CHKB Q9Y259 3/20 0.34
▸ PIP4K2A P48426 1/20 0.30

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
SCHEMBL25049304 0.89 CHKA (0.30) CHKA
SCHEMBL25049069 0.86 CHKA (0.33) CHKACHKB
SCHEMBL25047722 0.83 WNT1 (0.31) CHKACHKB
SCHEMBL25048474 0.82 PRMT5 (0.35) —
SCHEMBL25046781 0.81 CHKA (0.38) CHKACHKB
SCHEMBL25047766 0.81 — —
SCHEMBL25048803 0.78 PIP4K2A (0.35) CHKACHKBPIP4K2A
SCHEMBL25048176 0.77 KDR (0.31) —
SCHEMBL25047724 0.76 CHKA (0.37) CHKACHKBPIP4K2A
SCHEMBL25048347 0.76 PIP4K2A (0.33) CHKACHKBPIP4K2A

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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