SCHEMBL29002562

SCHEMBL29002562

Cc1cccc(C(C)Nc2nc(C)nc3ccc(B4OC(C)(C)C(C)(C)O4)cc23)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 20/20 0.57
▸ EGFR P00533 1/20 0.47
▸ KRAS P01116 1/20 0.47

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
SCHEMBL29002570 0.92 SOS1 (0.56) SOS1EGFRKRAS
SCHEMBL23520562 0.82 SOS1 (0.68) SOS1EGFRKRAS
SCHEMBL20327096 0.79 SOS1 (0.65) SOS1EGFRKRAS
SCHEMBL30455241 0.79 SOS1 (0.65) SOS1EGFRKRAS
SCHEMBL29002552 0.79 SOS1 (0.65) SOS1EGFRKRAS
SCHEMBL23520563 0.78 SOS1 (0.62) SOS1EGFRKRAS
SCHEMBL20327631 0.78 SOS1 (0.62) SOS1EGFRKRAS
SCHEMBL24576525 0.77 GALR3 (0.58) SOS1EGFRKRAS
SCHEMBL24576519 0.77 GALR3 (0.58) SOS1EGFRKRAS
SCHEMBL29775101 0.77 GALR3 (0.58) SOS1EGFRKRAS

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
CN-116143708-A Polysubstituted benzazepine heteroaryl derivative and application thereof 四川汇宇制药股份有限公司 2023-05-23 — — CN disclosed
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