SCHEMBL22198925

SCHEMBL22198925

Cc1cn(CC2CCN(C)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.52
▸ PHF8 Q9UPP1 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ CHRM3 P20309 2/20 0.39
▸ NCF1 P14598 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ MTOR P42345 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ PLAA Q9Y263 1/20 0.33

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
SCHEMBL13681917 0.92 KDM2B (0.45) KDM2BPHF8HRH3HRH4CHRM3
SCHEMBL12247669 0.88 PHF8 (0.49) KDM2BPHF8KDM4CQPCTUSP30
SCHEMBL22302587 0.85 HRH3 (0.43) KDM2BHRH3HRH4CHRM3NCF1
SCHEMBL13681927 0.83 KCNH2 (0.42) KDM2BPHF8HRH3CHRM3KDM4C
SCHEMBL22185811 0.80 KDM2B (0.49) KDM2BPHF8HRH3HRH4CHRM3
SCHEMBL13681751 0.77 TLR9 (0.39) KDM2BPHF8HRH3USP30TLR9
SCHEMBL13681754 0.75 PHF8 (0.37) PHF8HRH3HRH4TLR9TLR8
SCHEMBL30716669 0.75 KDM2B (0.57) KDM2BPHF8KDM4CMTOR
SCHEMBL23206352 0.74 HRH3 (0.36) KDM2BHRH3HRH4CHRM3QPCT
SCHEMBL13681766 0.73 HRH3 (0.39) PHF8HRH3HRH4

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-2020141439-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-09 — — WO disclosed
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