SCHEMBL28997136

SCHEMBL28997136

O=c1[nH]c(NCCC(Br)Br)nc2nc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.66
GDA Q9Y2T3 1/20 0.52

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
SCHEMBL5935074 0.87 XDH (0.78) XDHGDA
SCHEMBL7173183 0.86 XDH (0.66) XDHGDA
SCHEMBL7617811 0.83 XDH (0.62) XDHGDA
SCHEMBL16093685 0.82 XDH (0.64) XDHGDA
SCHEMBL441799 0.82 XDH (0.71) XDHGDA
SCHEMBL667798 0.82 XDH (0.84) XDHGDA
SCHEMBL9806979 0.82 XDH (0.71) XDHGDA
SCHEMBL6751934 0.82 XDH (0.71) XDHGDA
SCHEMBL5664381 0.82 XDH (0.70) XDHGDA
SCHEMBL9960821 0.81 XDH (0.69) XDHGDA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-116096370-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2023-05-09 CN disclosed