SCHEMBL21733675

SCHEMBL21733675

C=CC(=O)N1CCN(c2nc(OC)nc3c2CCCC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 14/20 0.43
▸ GBA1 P04062 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 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
SCHEMBL23156744 0.84 KRAS (0.43) KRAS
SCHEMBL21733918 0.83 GBA1 (0.40) KRASGBA1SMN1; SMN2LMNATSHR
SCHEMBL21733862 0.82 KRAS (0.41) KRAS
SCHEMBL21734104 0.81 GBA1 (0.44) GBA1SMN1; SMN2LMNATSHRNR4A1
SCHEMBL23156770 0.81 KRAS (0.44) KRAS
SCHEMBL30178152 0.79 KRAS (0.68) KRAS
SCHEMBL21733988 0.79 KRAS (0.68) KRAS
SCHEMBL21722172 0.79 KRAS (0.68) KRAS
SCHEMBL23979934 0.79 KRAS (0.49) KRAS
SCHEMBL23979636 0.79 KRAS (0.63) 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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — WO disclosed
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