SCHEMBL30210995

SCHEMBL30210995

Nc1nc(N)c2c(OC3CCOC3)cccc2n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 13/20 0.61
DHFR P00374 8/20 0.61
KCNH2 Q12809 1/20 0.49

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
SCHEMBL6015546 0.88 DCPS (0.50) DCPSDHFRKCNH2
SCHEMBL15284428 0.82 DCPS (0.59) DCPSDHFRKCNH2
SCHEMBL15283746 0.81 DCPS (0.57) DCPSDHFRKCNH2
SCHEMBL6015554 0.80 DCPS (0.55) DCPSDHFRKCNH2
SCHEMBL1154556 0.77 DCPS (0.56) DCPSDHFRKCNH2
SCHEMBL5803519 0.77 DCPS (0.40) DCPSDHFR
SCHEMBL13982643 0.77 QPCT (0.43) DCPSDHFR
SCHEMBL25959258 0.76 TLR7 (0.38) DCPSDHFR
SCHEMBL23501113 0.75 DHFR (0.52) DCPSDHFRKCNH2
SCHEMBL15741371 0.74 SRC (0.52) DCPSDHFR

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-115677701-A Benzo heterocyclic compound and preparation method and application thereof 昆药集团股份有限公司 2023-02-03 CN disclosed