SCHEMBL30188889

SCHEMBL30188889

C=CC(=O)N1CCN(c2nc(OCCN3CCC(F)C3)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.73

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
SCHEMBL19617641 1.00 KRAS (0.73) KRAS
SCHEMBL19637123 1.00 KRAS (0.73) KRAS
SCHEMBL19637153 0.97 KRAS (0.72) KRAS
SCHEMBL19637250 0.97 KRAS (0.72) KRAS
SCHEMBL19617365 0.97 KRAS (0.72) KRAS
SCHEMBL19964334 0.97 KRAS (0.73) KRAS
SCHEMBL19637271 0.93 KRAS (0.72) KRAS
SCHEMBL19959175 0.93 KRAS (0.74) KRAS
SCHEMBL19636782 0.92 KRAS (0.73) KRAS
SCHEMBL21005595 0.92 KRAS (0.69) 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 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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