SCHEMBL21896284

SCHEMBL21896284

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 13/20 0.40
▸ BTK Q06187 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NUDT1 P36639 1/20 0.36
▸ JAK3 P52333 3/20 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
SCHEMBL22994767 0.88 BTK (0.44) KRASBTKKMT2ANUDT1JAK3
SCHEMBL21895605 0.87 KRAS (0.43) KRASBTKJAK3
SCHEMBL22994789 0.85 KRAS (0.44) KRASNUDT1JAK3
SCHEMBL22994733 0.84 JAK3 (0.40) KRASBTKNUDT1JAK3
SCHEMBL21895629 0.82 KRAS (0.38) KRASBTKJAK3
SCHEMBL22994731 0.81 NUDT1 (0.38) KRASBTKNUDT1JAK3
SCHEMBL21846319 0.81 KRAS (0.46) KRAS
SCHEMBL22994683 0.81 KRAS (0.46) KRAS
SCHEMBL21895574 0.80 KRAS (0.39) KRASBTKJAK3
SCHEMBL22088501 0.76 BTK (0.50) KRASBTKJAK3

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-2020055756-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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