SCHEMBL30188978

SCHEMBL30188978

CN1CC[C@@H](COc2nc3c(c(N4CCN[C@@H](CC#N)C4)n2)CCN(c2cccc4cccc(Cl)c24)C3)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.58
▸ VHL P40337 1/20 0.58
▸ CDK7 P50613 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ MNAT1 P51948 1/20 0.58
▸ SOS1 Q07889 1/20 0.58

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
SCHEMBL19948284 1.00 KRAS (0.58) KRASVHLCDK7CCNHMNAT1
SCHEMBL30188756 0.92 KRAS (0.56) KRASVHLCDK7CCNHMNAT1
SCHEMBL20974627 0.92 KRAS (0.56) KRASVHLCDK7CCNHMNAT1
SCHEMBL29076594 0.90 KRAS (0.56) KRASVHLCDK7CCNHMNAT1
SCHEMBL29076595 0.90 KRAS (0.56) KRASVHLCDK7CCNHMNAT1
SCHEMBL19616796 0.90 KRAS (0.55) KRASVHLCDK7CCNHMNAT1
SCHEMBL19616800 0.90 KRAS (0.55) KRASVHLCDK7CCNHMNAT1
SCHEMBL30189021 0.89 KRAS (0.54) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948630 0.89 KRAS (0.54) KRASVHLCDK7CCNHMNAT1
SCHEMBL23598877 0.89 KRAS (0.55) 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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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