SCHEMBL29844254

SCHEMBL29844254

CC(=O)C1CCC(n2cc(C(=O)N[C@H](C)c3cccc4c3CCC4(F)F)c3n[nH]cc3c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 9/20 0.40
▸ SOS1 Q07889 9/20 0.40

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
SCHEMBL27186887 0.91 KRAS (0.40) KRASSOS1
SCHEMBL27186885 0.91 KRAS (0.40) KRASSOS1
SCHEMBL27186130 0.91 SOS1 (0.39) KRASSOS1
SCHEMBL27186125 0.91 SOS1 (0.39) KRASSOS1
SCHEMBL27186367 0.89 SOS1 (0.36) KRASSOS1
SCHEMBL27186234 0.89 SOS1 (0.36) KRASSOS1
SCHEMBL27186352 0.88 KRAS (0.38) KRASSOS1
SCHEMBL27186348 0.88 KRAS (0.38) KRASSOS1
SCHEMBL29168383 0.83 KDM4E (0.30) —
SCHEMBL27186962 0.83 KRAS (0.37) 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
WO-2022187266-A1 NOVEL SUBSTITUTED BICYCLI AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 — — WO disclosed
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