SCHEMBL26863122

SCHEMBL26863122

COc1nccc2c(Nc3ccc([SH](=N)=O)cc3)c(C#N)cnc12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 11/20 0.43
▸ EGFR P00533 6/20 0.43
▸ ERBB2 P04626 6/20 0.43
▸ RAF1 P04049 3/20 0.43
▸ SRC P12931 4/20 0.43

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
SCHEMBL26656443 0.81 CCNA2 (0.44) MAP2K1EGFRERBB2RAF1SRC
SCHEMBL26862939 0.78 HTT (0.40) EGFRERBB2SRC
SCHEMBL26863388 0.77 MAP2K1 (0.40) MAP2K1EGFRERBB2RAF1SRC
SCHEMBL26864049 0.75 MAP2K1 (0.40) MAP2K1EGFRERBB2RAF1SRC
SCHEMBL26863121 0.75 MAP2K1 (0.40) MAP2K1EGFRERBB2RAF1SRC
SCHEMBL26656463 0.70 MAP2K1 (0.36) MAP2K1EGFRERBB2SRC
SCHEMBL26864347 0.70 GAA (0.35) EGFRERBB2
SCHEMBL30666122 0.70 MAP2K1 (0.36) MAP2K1EGFRERBB2SRC
SCHEMBL26656444 0.69 L3MBTL1 (0.38) EGFRERBB2SRC
SCHEMBL26864357 0.67 PDGFRA (0.36) —

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-2023225001-A1 NAPHTHYRIDINE BASED ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2023-11-23 — — WO disclosed
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