SCHEMBL24233998

SCHEMBL24233998

CC(CCI)c1nc2cc(C3=NC[C@@H](C)CC3)ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ LIPG Q9Y5X9 2/20 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
SCHEMBL24365042 0.86 AAK1 (0.36) AAK1LOXL2LIPG
SCHEMBL30469929 0.86 AAK1 (0.36) AAK1LOXL2LIPG
SCHEMBL29980920 0.84 AAK1 (0.41) AAK1LOXL2LIPG
SCHEMBL25322756 0.83 AAK1 (0.34) AAK1LOXL2LIPG
SCHEMBL25322762 0.83 AAK1 (0.34) AAK1LOXL2LIPG
SCHEMBL30470940 0.83 AAK1 (0.36) AAK1LIPG
SCHEMBL24364958 0.83 AAK1 (0.36) AAK1LIPG
SCHEMBL31136351 0.77 SMN1; SMN2 (0.40) —
SCHEMBL24363782 0.77 SMN1; SMN2 (0.40) —
SCHEMBL24365876 0.77 RAB9A (0.34) —

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-2022026892-A1 PIPERIDIN-1- YL-N-PYRYDI NE-3-YL-2-OXOACET AM IDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MT A-ACCUMULATING CANCERS TANGO THERAPEUTICS, INC. (US) 2022-02-03 — — WO disclosed
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