SCHEMBL19616951

SCHEMBL19616951

O=CC=CN1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 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
SCHEMBL22440324 0.96 KRAS (0.59) KRAS
SCHEMBL19616748 0.93 KRAS (0.61) KRAS
SCHEMBL19617418 0.93 KRAS (0.61) KRAS
SCHEMBL19616477 0.92 KRAS (0.52) KRAS
SCHEMBL22440330 0.92 KRAS (0.62) KRAS
SCHEMBL22440233 0.91 KRAS (0.48) KRAS
SCHEMBL22440261 0.90 KRAS (0.53) KRAS
SCHEMBL19616626 0.90 KRAS (0.61) KRAS
SCHEMBL19616802 0.89 KRAS (0.65) KRAS
SCHEMBL19617141 0.89 KRAS (0.59) KRAS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 — — EP disclosed
EP-3458445-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-03-27 — — EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
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