SCHEMBL25049201

SCHEMBL25049201

c1ccc(CCNCCCNC[C@@H]2CC[C@H](n3cc(-c4cc(Cc5ccccc5)cs4)c4cncnc43)C2)cc1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ ABL2 P42684 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
SCHEMBL25048282 0.88 AXL (0.32) —
SCHEMBL25046817 0.85 PRMT5 (0.39) —
SCHEMBL30940748 0.85 PRMT5 (0.39) —
SCHEMBL25048190 0.84 EGFR (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25047626 0.84 GNRHR (0.32) —
SCHEMBL30941315 0.82 PRMT5 (0.39) —
SCHEMBL25048890 0.82 PRMT5 (0.39) —
SCHEMBL25048432 0.80 PRMT5 (0.37) —
SCHEMBL30940842 0.80 PRMT5 (0.37) —
SCHEMBL25049147 0.79 IGF1R (0.30) —

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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