SCHEMBL21733717

SCHEMBL21733717

COc1nc2c(c(N3CCN(C(=O)/C=C/CF)C(CC#N)C3)n1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.54
▸ VHL P40337 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 1/20 0.39
▸ SOS1 Q07889 1/20 0.39

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
SCHEMBL21734112 0.88 KRAS (0.55) KRASSOS1
SCHEMBL21733774 0.83 KRAS (0.53) KRASVHLCDK7CCNHMNAT1
SCHEMBL23645699 0.82 KRAS (0.54) KRASVHLCDK7CCNHMNAT1
SCHEMBL21733776 0.79 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL24543009 0.76 KRAS (0.44) KRASVHLCDK7CCNHMNAT1
SCHEMBL21786275 0.75 KRAS (0.69) KRASSOS1
SCHEMBL22010615 0.74 KRAS (0.63) KRASVHLCDK7CCNHMNAT1
SCHEMBL30188591 0.74 KRAS (0.73) KRASVHLCDK7CCNHMNAT1
SCHEMBL26016793 0.74 KRAS (0.70) KRASSOS1
SCHEMBL31344949 0.73 KRAS (0.88) KRASVHLCDK7CCNHMNAT1

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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