SCHEMBL30853010

SCHEMBL30853010

COC(=O)c1cc2cnc(SC)nc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.42
▸ SRC P12931 9/20 0.42
▸ XDH P47989 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL24752055 1.00 ABL1 (0.42) ABL1SRCXDHMAPK1CYP1A2
SCHEMBL29763764 0.85 MEN1 (0.46) KDM4E
SCHEMBL24752128 0.85 MEN1 (0.46) KDM4E
SCHEMBL24752309 0.84 MEN1 (0.39) KDM4E
SCHEMBL10323979 0.82 DYRK1A (0.45) KDM4ETP53
SCHEMBL28705638 0.81 FGFR1 (0.40) —
SCHEMBL20980339 0.81 KDM4E (0.43) MAPK1KDM4E
SCHEMBL28514657 0.79 MEN1 (0.35) KDM4E
SCHEMBL18940570 0.79 ABL1 (0.49) ABL1SRCXDHMAPK1CYP1A2
SCHEMBL24752125 0.75 GABRP (0.37) XDH

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-122010951-A New preparation method of reboxetine 上海上药第一生化药业有限公司 2026-05-12 — — CN disclosed
CN-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 — — CN disclosed
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