SCHEMBL19616719

SCHEMBL19616719

O=CC=CN1CCN(c2nc(OCCCN3CCOCC3)nc3c2CCN(c2c(F)c(O)cc4ccccc24)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 18/20 0.45
▸ MTOR P42345 1/20 0.34

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
SCHEMBL19616956 0.92 KRAS (0.47) KRASMTOR
SCHEMBL30188858 0.88 KRAS (0.58) KRAS
SCHEMBL19637181 0.88 KRAS (0.58) KRAS
SCHEMBL19616951 0.87 KRAS (0.59) KRAS
SCHEMBL22440233 0.85 KRAS (0.48) KRAS
SCHEMBL22440324 0.84 KRAS (0.59) KRAS
SCHEMBL22440384 0.84 KRAS (0.45) KRASMTOR
SCHEMBL19616730 0.82 KRAS (0.44) KRAS
SCHEMBL19637328 0.81 KRAS (0.42) KRAS
SCHEMBL19959212 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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