SCHEMBL25020007

SCHEMBL25020007

C=CC(=O)N1CCN(c2nc(OC)nc(C)c2CC)C[C@@H]1CC#N

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.45
▸ SOS1 Q07889 6/20 0.44

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
SCHEMBL21846309 0.92 KRAS (0.47) KRASSOS1
SCHEMBL22994683 0.88 KRAS (0.46) KRASSOS1
SCHEMBL21846319 0.88 KRAS (0.46) KRASSOS1
SCHEMBL21846316 0.85 KRAS (0.62) KRASSOS1
SCHEMBL25021723 0.85 KRAS (0.62) KRASSOS1
SCHEMBL21912203 0.84 KRAS (0.43) KRASSOS1
SCHEMBL21734112 0.81 KRAS (0.55) KRASSOS1
SCHEMBL25020959 0.81 KRAS (0.44) KRASSOS1
SCHEMBL23645670 0.78 KRAS (0.45) KRASSOS1
SCHEMBL23841437 0.77 KRAS (0.56) KRASSOS1

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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