SCHEMBL26559399

SCHEMBL26559399

COC(=O)c1ccc2c(N3CCCC(CN)C3)ncnc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 10/20 0.50
▸ SUV39H1 O43463 2/20 0.48
▸ PRMT1 Q99873 2/20 0.48
▸ SMYD3 Q9H7B4 2/20 0.48
▸ PDE3A Q14432 2/20 0.46
▸ ENPP1 P22413 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.42

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
SCHEMBL26557865 0.88 PRKDC (0.52) PRKDCSUV39H1PRMT1SMYD3PDE3A
SCHEMBL21664419 0.86 ENPP1 (0.49) PRKDCSUV39H1PRMT1SMYD3PDE3A
SCHEMBL26557373 0.79 NAMPT (0.45) PRKDCPDE3AENPP1JAK2JAK3
SCHEMBL21664273 0.78 ENPP1 (0.49) PRKDCPDE3AENPP1JAK2JAK3
SCHEMBL21664414 0.77 ENPP1 (0.48) PRKDCSUV39H1PRMT1SMYD3ENPP1
SCHEMBL2923361 0.76 CLK4 (0.54) SUV39H1PRMT1SMYD3ENPP1KDM4E
SCHEMBL694440 0.76 PDGFRB (0.45) SUV39H1PRMT1SMYD3KDM4EPABPC1
SCHEMBL21456810 0.76 ENPP1 (0.47) PRKDCSUV39H1PRMT1SMYD3PDE3A
SCHEMBL2070213 0.76 BPTF (0.49) KDM4EHSD17B10
SCHEMBL26564079 0.75 PRKDC (0.44) PRKDCSUV39H1PRMT1SMYD3PDE3A

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
EP-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
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