SCHEMBL30188591

SCHEMBL30188591

Cc1cccc2cccc(N3CCc4c(nc(OC[C@@H]5CCN(C)C5)nc4N4CCN(C(=O)/C=C/CF)[C@@H](CC#N)C4)C3)c12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.73
▸ VHL P40337 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ CCNH P51946 1/20 0.59
▸ MNAT1 P51948 1/20 0.59
▸ SOS1 Q07889 1/20 0.59

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
SCHEMBL20974532 1.00 KRAS (0.73) KRASVHLCDK7CCNHMNAT1
SCHEMBL21846345 0.94 KRAS (0.84) KRASVHLCDK7CCNHMNAT1
SCHEMBL20974489 0.94 KRAS (0.84) KRASVHLCDK7CCNHMNAT1
SCHEMBL21005154 0.92 KRAS (0.71) KRASVHLCDK7CCNHMNAT1
SCHEMBL21005394 0.91 KRAS (0.70) KRASVHLCDK7CCNHMNAT1
SCHEMBL21005110 0.91 KRAS (0.70) KRASVHLCDK7CCNHMNAT1
SCHEMBL20975120 0.91 KRAS (0.88) KRASVHLCDK7CCNHMNAT1
SCHEMBL20974695 0.91 KRAS (0.88) KRASVHLCDK7CCNHMNAT1
SCHEMBL22088510 0.91 KRAS (0.88) KRASVHLCDK7CCNHMNAT1
SCHEMBL20975121 0.91 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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
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