SCHEMBL29844200

SCHEMBL29844200

C[C@@H](NC(=O)c1cn(C2CCOCC2)c(=O)c2c[nH]nc12)c1cccc(C(F)(F)CO)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 16/20 0.42
▸ KRAS P01116 5/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.36
▸ ELANE P08246 2/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 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
SCHEMBL27186247 1.00 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186252 1.00 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186112 0.85 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186120 0.85 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL29844219 0.85 SOS1 (0.42) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186093 0.83 SOS1 (0.39) SOS1KRASTRPV4ELANERAF1
SCHEMBL29844166 0.83 SOS1 (0.39) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186095 0.83 SOS1 (0.39) SOS1KRASTRPV4ELANERAF1
SCHEMBL27186885 0.77 KRAS (0.40) SOS1KRAS
SCHEMBL27186887 0.77 KRAS (0.40) SOS1KRAS

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
Send feedback