SCHEMBL26557865

SCHEMBL26557865

NCC1CCCN(c2ncnc3cc(C(N)=O)ccc23)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 12/20 0.52
▸ RPS6KB1 P23443 1/20 0.49
▸ SUV39H1 O43463 2/20 0.48
▸ PRMT1 Q99873 2/20 0.48
▸ SMYD3 Q9H7B4 2/20 0.48
▸ LRRK2 Q5S007 2/20 0.43
▸ PDE3A Q14432 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL26559399 0.88 PRKDC (0.50) PRKDCRPS6KB1SUV39H1PRMT1SMYD3
SCHEMBL21664414 0.84 ENPP1 (0.48) PRKDCRPS6KB1SUV39H1PRMT1SMYD3
SCHEMBL26559448 0.76 PRKDC (0.46) PRKDCSUV39H1PRMT1SMYD3LRRK2
SCHEMBL21664387 0.75 HTT (0.55) PRKDCRPS6KB1PDE3A
SCHEMBL26230078 0.75 CHRM4 (0.50) PRKDCPDE3A
SCHEMBL21456810 0.75 ENPP1 (0.47) PRKDCSUV39H1PRMT1SMYD3LRRK2
SCHEMBL26564079 0.74 PRKDC (0.44) PRKDCSUV39H1PRMT1SMYD3LRRK2
SCHEMBL21664419 0.74 ENPP1 (0.49) PRKDCSUV39H1PRMT1SMYD3PDE3A
SCHEMBL21456831 0.72 CCRL2 (0.47) PRKDCPDE3A
SCHEMBL4127724 0.71 DOT1L (0.73) —

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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