SCHEMBL21846179

SCHEMBL21846179

C=CC(=O)N1CCN(c2nc(OCCCN3CCS(=O)(=O)CC3)nc(CC)c2CCC)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TEAD3 Q99594 1/20 0.37
▸ KRAS P01116 10/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ BCL2A1 Q16548 1/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ PDGFRB P09619 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
SCHEMBL22087281 0.90 KRAS (0.40) TEAD3KRASJAK3BTK
SCHEMBL21912079 0.79 BTK (0.37) KRASJAK3BTK
SCHEMBL21895605 0.77 KRAS (0.43) TEAD3KRASJAK3BTK
SCHEMBL22994789 0.75 KRAS (0.44) TEAD3KRASJAK3FGFR1FGFR2
SCHEMBL21912197 0.74 HPGD (0.32) FGFR1FGFR2
SCHEMBL21896284 0.73 KRAS (0.40) KRASJAK3BTK
SCHEMBL21895629 0.71 KRAS (0.38) TEAD3KRASJAK3BTK
SCHEMBL21846333 0.70 KRAS (0.45) TEAD3KRAS
SCHEMBL22994733 0.70 JAK3 (0.40) TEAD3KRASJAK3BTK
SCHEMBL19636773 0.68 KRAS (0.75) KRAS

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-2020055760-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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