SCHEMBL24807708

SCHEMBL24807708

Cc1nnc2nc(N3CCCc4c(C#CC5(C)CC5)cccc43)c3ncccc3n12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL30146665 1.00 PTPN11 (0.31) PTPN11KCNH2
SCHEMBL30146523 0.89
SCHEMBL30146380 0.89
SCHEMBL24807439 0.89
SCHEMBL24808948 0.89
SCHEMBL24806293 0.85 STAT3 (0.36) PTPN11KCNH2
SCHEMBL30146462 0.85 STAT3 (0.36) PTPN11KCNH2
SCHEMBL24721571 0.85 MAPT (0.33)
SCHEMBL29909755 0.85 MAPT (0.33)
SCHEMBL24807044 0.84

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-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed