SCHEMBL18232330

SCHEMBL18232330

C=CC(=O)N1CC2C(C)C2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.36
▸ JAK3 P52333 10/20 0.34
▸ KRAS P01116 5/20 0.34
▸ ACHE P22303 3/20 0.33
▸ TET3 O43151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FBXL19 Q6PCT2 1/20 0.31
▸ CXXC5 Q7LFL8 1/20 0.31
▸ TET1 Q8NFU7 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ CXXC4 Q9H2H0 1/20 0.31
▸ KDM2A Q9Y2K7 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ BLK P51451 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL10138954 0.82 — —
SCHEMBL25467314 0.78 TEAD1 (0.36) TEAD1JAK3KRASACHETET3
SCHEMBL22719868 0.78 TEAD1 (0.36) TEAD1JAK3KRASACHETET3
SCHEMBL25205555 0.78 JAK3 (0.45) JAK3ACHEKMT2A
SCHEMBL20383195 0.78 TEAD1 (0.36) TEAD1JAK3KRASACHETET3
SCHEMBL30834535 0.77 JAK3 (0.38) JAK3KRASACHEBTK
SCHEMBL25976400 0.77 JAK3 (0.38) TEAD1JAK3KRASACHEBTK
SCHEMBL9700171 0.77 SMN1; SMN2 (0.46) KMT2A
SCHEMBL17443386 0.75 — —
SCHEMBL29197336 0.74 KRAS (0.34) TEAD1JAK3KRASACHETET3

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-2016183094-A1 BICYCLIC COMPOUNDS KALYRA PHARMACEUTICALS, INC. (US) 2016-11-17 — — WO disclosed
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