SCHEMBL26863121

SCHEMBL26863121

COc1nccc2c(Nc3ccc([S@](=N)(=O)NC[C@@H](C)O)cc3)c(C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 10/20 0.40
▸ EGFR P00533 7/20 0.39
▸ ERBB2 P04626 7/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ SRC P12931 2/20 0.36
▸ STK4 Q13043 1/20 0.36
▸ RAF1 P04049 3/20 0.35

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
SCHEMBL26864049 1.00 MAP2K1 (0.40) MAP2K1EGFRERBB2PDE4BSRC
SCHEMBL26865331 0.82 BRAF (0.36) —
SCHEMBL30666120 0.82 BRAF (0.36) —
SCHEMBL26656440 0.82 BRAF (0.36) —
SCHEMBL26864188 0.82 BRAF (0.36) —
SCHEMBL26863388 0.82 MAP2K1 (0.40) MAP2K1EGFRERBB2PDE4BSRC
SCHEMBL26656443 0.81 CCNA2 (0.44) MAP2K1EGFRERBB2PDE4BSRC
SCHEMBL26863122 0.75 MAP2K1 (0.43) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL30666116 0.75 BRAF (0.36) —
SCHEMBL26656465 0.75 BRAF (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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