SCHEMBL29844157

SCHEMBL29844157

C[C@@H](NC(=O)c1cn(C2(C)CC2)c(=O)c2cc[nH]c12)c1cccc(C(F)(F)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 17/20 0.39
▸ KRAS P01116 9/20 0.39
▸ LIPG Q9Y5X9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ PPARG P37231 1/20 0.33

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
SCHEMBL27186138 1.00 SOS1 (0.39) SOS1KRASLIPGPDE10APPARG
SCHEMBL27186137 1.00 SOS1 (0.39) SOS1KRASLIPGPDE10APPARG
SCHEMBL27186112 0.81 SOS1 (0.42) SOS1KRAS
SCHEMBL27186120 0.81 SOS1 (0.42) SOS1KRAS
SCHEMBL29844219 0.81 SOS1 (0.42) SOS1KRAS
SCHEMBL27186280 0.75 KRAS (0.47) SOS1KRAS
SCHEMBL27186284 0.75 KRAS (0.47) SOS1KRAS
SCHEMBL27186103 0.69 CECR2 (0.36) —
SCHEMBL27186295 0.68 PIM3 (0.39) —
SCHEMBL30853318 0.68 BTK (0.39) —

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
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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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