SCHEMBL25047513

SCHEMBL25047513

Cc1cn(C2CCC(C3CCN(C)CC3)C2)c2nc(Cl)nc(N)c12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHKA P35790 5/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CHKB Q9Y259 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 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
SCHEMBL25046689 0.89 ALOX15 (0.31) ALOX15
SCHEMBL25046687 0.82 SRC (0.42) —
SCHEMBL25048909 0.79 ALOX15 (0.35) ALOX15SMN1; SMN2
SCHEMBL25047549 0.76 METTL3 (0.34) FGFR1PIM1
SCHEMBL25047567 0.76 C1S (0.36) CHKAFGFR1FGFR4PIM1
SCHEMBL25047546 0.74 — —
SCHEMBL25046685 0.73 METTL3 (0.35) —
SCHEMBL25048061 0.73 ACHE (0.40) —
SCHEMBL25048601 0.72 DRD4 (0.36) —
SCHEMBL25047544 0.71 WEE1 (0.35) SMN1; SMN2

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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