SCHEMBL25049069

SCHEMBL25049069

Nc1nc(Cl)nc2c1ccn2C1CCC(c2cccc(-c3cnsc3)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 3/20 0.33
▸ DHFR P00374 2/20 0.32
▸ KDR P35968 1/20 0.30
▸ CHKB Q9Y259 2/20 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
SCHEMBL25048176 0.91 KDR (0.31) KDR
SCHEMBL25049304 0.90 CHKA (0.30) CHKA
SCHEMBL25046757 0.87 PRMT5 (0.38) —
SCHEMBL25048480 0.86 CHKA (0.34) CHKACHKB
SCHEMBL25049159 0.83 PIP4K2A (0.34) KDR
SCHEMBL25047722 0.83 WNT1 (0.31) CHKACHKB
SCHEMBL25049274 0.81 CHKA (0.35) CHKACHKB
SCHEMBL25049064 0.80 PRMT5 (0.41) —
SCHEMBL25047766 0.80 — —
SCHEMBL25046778 0.78 CHKA (0.37) CHKACHKB

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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