SCHEMBL21895629

SCHEMBL21895629

C=CC(=O)N1CCN(c2nc(OCCCN3CCC(OC)C3)nc(C)c2CC)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 16/20 0.38
▸ TEAD3 Q99594 1/20 0.37
▸ JAK3 P52333 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.34
▸ BTK Q06187 1/20 0.34

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
SCHEMBL21895574 0.95 KRAS (0.39) KRASJAK3BTK
SCHEMBL21895605 0.86 KRAS (0.43) KRASTEAD3JAK3HRH3BTK
SCHEMBL19637080 0.85 KRAS (0.31) KRAS
SCHEMBL22994789 0.84 KRAS (0.44) KRASTEAD3JAK3HRH3
SCHEMBL21896284 0.82 KRAS (0.40) KRASJAK3BTK
SCHEMBL21846333 0.79 KRAS (0.45) KRASTEAD3
SCHEMBL22994733 0.79 JAK3 (0.40) KRASTEAD3JAK3BTK
SCHEMBL22994767 0.79 BTK (0.44) KRASJAK3BTK
SCHEMBL22994731 0.73 NUDT1 (0.38) KRASJAK3BTK
SCHEMBL22087281 0.73 KRAS (0.40) KRASTEAD3JAK3HRH3BTK

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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