SCHEMBL23156744

SCHEMBL23156744

C=CC(=O)N1CCN(c2nc(OC)nc3c2CN(C(=O)C=C)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 16/20 0.43
▸ BTK Q06187 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TET3 O43151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FBXL19 Q6PCT2 1/20 0.34
▸ CXXC5 Q7LFL8 1/20 0.34
▸ TET1 Q8NFU7 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ CXXC4 Q9H2H0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ ACHE P22303 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
SCHEMBL23156770 0.89 KRAS (0.44) KRASBTKMAPK1TET3KMT2A
SCHEMBL21733675 0.84 KRAS (0.43) KRAS
SCHEMBL23156897 0.80 NPSR1 (0.37) KRASBTKMAPK1KMT2A
SCHEMBL23156905 0.78 KRAS (0.43) KRASKMT2A
SCHEMBL25021099 0.78 KRAS (0.55) KRAS
SCHEMBL23156887 0.78 KRAS (0.42) KRAS
SCHEMBL23156893 0.78 KRAS (0.51) KRAS
SCHEMBL23156894 0.77 KRAS (0.37) KRAS
SCHEMBL21733862 0.77 KRAS (0.41) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL25020030 0.77 KRAS (0.56) 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-2021058018-A1 INHIBITORS OF KRAS G12C BEIGENE, LTD. (KY) 2021-04-01 — — WO disclosed
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