SCHEMBL21733776

SCHEMBL21733776

COc1nc2c(c(N3CCN(C(=O)/C=C/CF)C(CC#N)C3)n1)CCC(c1cc(O)cc3ccccc13)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.51
▸ SOS1 Q07889 2/20 0.46
▸ VHL P40337 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ MNAT1 P51948 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
SCHEMBL21733771 0.91 KRAS (0.56) KRASSOS1
SCHEMBL21722304 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722256 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL30178109 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722294 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21733458 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722279 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21722575 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL21733460 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH
SCHEMBL30177774 0.91 KRAS (0.65) KRASSOS1VHLCDK7CCNH

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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