SCHEMBL21846333

SCHEMBL21846333

C=CC(=O)N1CCN(c2nc(OCCCN3CCC(OC)C3)nc(CC)c2CCCCc2cc(O)cc3ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 18/20 0.45
▸ SOS1 Q07889 1/20 0.38
▸ TEAD3 Q99594 1/20 0.35
▸ OPRK1 P41145 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
SCHEMBL21895629 0.79 KRAS (0.38) KRASTEAD3
SCHEMBL19637273 0.78 KRAS (0.73) KRAS
SCHEMBL30188853 0.78 KRAS (0.73) KRAS
SCHEMBL19636782 0.75 KRAS (0.73) KRAS
SCHEMBL21895574 0.75 KRAS (0.39) KRAS
SCHEMBL19617378 0.72 KRAS (0.72) KRAS
SCHEMBL19637068 0.72 KRAS (0.72) KRAS
SCHEMBL19637211 0.72 KRAS (0.72) KRAS
SCHEMBL30189133 0.72 KRAS (0.72) KRAS
SCHEMBL22087281 0.72 KRAS (0.40) KRASTEAD3

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
WO-2020055756-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
WO-2020055760-A1 COMBINATION THERAPIES Mirati Therapeutics, Inc. (US) 2020-03-19 — — WO disclosed
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