SCHEMBL21733862

SCHEMBL21733862

C=CC(=O)N1CCN(c2nc(OC)nc3c2CCC2(CCCCC2)C3)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 18/20 0.41
▸ TET3 O43151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ FBXL19 Q6PCT2 2/20 0.34
▸ CXXC5 Q7LFL8 2/20 0.34
▸ TET1 Q8NFU7 2/20 0.34
▸ KDM2B Q8NHM5 2/20 0.34
▸ CXXC4 Q9H2H0 2/20 0.34
▸ KDM2A Q9Y2K7 2/20 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
SCHEMBL23385726 0.86 KRAS (0.51) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL21733533 0.84 TLR9 (0.38) —
SCHEMBL21733675 0.82 KRAS (0.43) KRAS
SCHEMBL21733983 0.82 KRAS (0.62) KRAS
SCHEMBL30177964 0.82 KRAS (0.62) KRAS
SCHEMBL21722151 0.82 KRAS (0.62) KRAS
SCHEMBL21733534 0.79 HTR2C (0.39) KMT2A
SCHEMBL23385660 0.78 KRAS (0.43) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL23645190 0.78 KRAS (0.41) KRASTET3KMT2AFBXL19CXXC5
SCHEMBL23156744 0.77 KRAS (0.43) KRASTET3KMT2AFBXL19CXXC5

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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