SCHEMBL25047580

SCHEMBL25047580

O[C@@H]1[C@H](O)[C@@H](C2CCCNC2)C[C@H]1n1cc(-c2nc(Cc3ccccc3)cs2)c2cnc(Cl)nc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 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
Hydrochloric Acid SCHEMBL30941119 0.90 GABRA1 (0.32) MERTK
SCHEMBL25048724 0.88 C1S (0.31) —
Hydrochloric Acid SCHEMBL30940720 0.87 C1S (0.31) —
SCHEMBL30941162 0.86 AXL (0.33) MERTK
SCHEMBL25047781 0.86 AXL (0.33) MERTK
SCHEMBL25048898 0.86 AXL (0.33) MERTK
SCHEMBL25047882 0.85 AXL (0.32) MERTK
SCHEMBL25047581 0.85 MERTK (0.32) MERTK
SCHEMBL25047782 0.84 CNR1 (0.34) MERTK
SCHEMBL25047785 0.84 MAP4K4 (0.31) MERTK

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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