SCHEMBL22994767

SCHEMBL22994767

C=CC(=O)N1CCN(c2nc(OCC)nc(C)c2CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.44
▸ NUDT1 P36639 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ TET3 O43151 2/20 0.38
▸ FBXL19 Q6PCT2 2/20 0.38
▸ TET1 Q8NFU7 2/20 0.38
▸ KDM2B Q8NHM5 2/20 0.38
▸ CXXC4 Q9H2H0 2/20 0.38
▸ KDM2A Q9Y2K7 2/20 0.38
▸ CXXC5 Q7LFL8 1/20 0.38
▸ JAK3 P52333 3/20 0.37
▸ KRAS P01116 11/20 0.36

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
SCHEMBL21896284 0.88 KRAS (0.40) BTKNUDT1KMT2AJAK3KRAS
SCHEMBL22994731 0.86 NUDT1 (0.38) BTKNUDT1JAK3KRAS
SCHEMBL22994733 0.84 JAK3 (0.40) BTKNUDT1JAK3KRAS
SCHEMBL21895605 0.83 KRAS (0.43) BTKJAK3KRAS
SCHEMBL22994789 0.82 KRAS (0.44) NUDT1JAK3KRAS
SCHEMBL21895574 0.80 KRAS (0.39) BTKJAK3KRAS
SCHEMBL21846309 0.79 KRAS (0.47) KRAS
SCHEMBL21895629 0.79 KRAS (0.38) BTKJAK3KRAS
SCHEMBL22088501 0.78 BTK (0.50) BTKJAK3KRAS
SCHEMBL21912079 0.72 BTK (0.37) BTKKMT2ATET3FBXL19TET1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 — — EP disclosed
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