SCHEMBL21912079

SCHEMBL21912079

C=CC(=O)N1CCN(c2nc(OC)nc(CC)c2CCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.37
▸ TEC P42680 2/20 0.37
▸ KRAS P01116 7/20 0.35
▸ JAK3 P52333 4/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ TET3 O43151 1/20 0.32
▸ FBXL19 Q6PCT2 1/20 0.32
▸ CXXC5 Q7LFL8 1/20 0.32
▸ TET1 Q8NFU7 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ CXXC4 Q9H2H0 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32
▸ MEN1 O00255 1/20 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
SCHEMBL22087281 0.81 KRAS (0.40) BTKKRASJAK3
SCHEMBL21846179 0.79 TEAD3 (0.37) BTKKRASJAK3
SCHEMBL22994767 0.72 BTK (0.44) BTKKRASJAK3KMT2ATET3
SCHEMBL23156744 0.71 KRAS (0.43) BTKKRASKMT2ATET3FBXL19
SCHEMBL21733675 0.71 KRAS (0.43) KRAS
SCHEMBL22994731 0.70 NUDT1 (0.38) BTKKRASJAK3
SCHEMBL21896284 0.70 KRAS (0.40) BTKKRASJAK3KMT2AMEN1
SCHEMBL23156770 0.69 KRAS (0.44) BTKKRASKMT2ATET3FBXL19
SCHEMBL22994733 0.65 JAK3 (0.40) BTKKRASJAK3
SCHEMBL21733862 0.65 KRAS (0.41) KRASKMT2ATET3FBXL19CXXC5

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-2020055755-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
Send feedback