SCHEMBL26863388

SCHEMBL26863388

COc1nccc2c(Nc3ccc(S(=N)(=O)NC4CC4)cc3)c(C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 10/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ EGFR P00533 7/20 0.39
▸ ERBB2 P04626 6/20 0.39
▸ SRC P12931 3/20 0.38
▸ RAF1 P04049 3/20 0.36

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 0.83 CCNA2 (0.44) MAP2K1PDE4BEGFRERBB2SRC
SCHEMBL26863121 0.82 MAP2K1 (0.40) MAP2K1PDE4BEGFRERBB2SRC
SCHEMBL26864049 0.82 MAP2K1 (0.40) MAP2K1PDE4BEGFRERBB2SRC
SCHEMBL26864601 0.81 GAK (0.36) EGFRERBB2
SCHEMBL26862956 0.81 GAK (0.36) EGFRERBB2
SCHEMBL26863122 0.77 MAP2K1 (0.43) MAP2K1EGFRERBB2SRCRAF1
SCHEMBL26863552 0.71 GAK (0.35) EGFR
SCHEMBL24028614 0.68 MAP2K1 (0.58) MAP2K1PDE4BEGFRERBB2SRC
SCHEMBL26656450 0.68 CDK1 (0.45) MAP2K1PDE4BEGFRERBB2RAF1
SCHEMBL31700843 0.68 MAPT (0.38) PDE4BSRC

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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