SCHEMBL30955293

SCHEMBL30955293

CC(C)(O)c1cncc2c1CCN2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.30
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL20365013 0.86 NOTUM (0.32) MAP4K1PARP10PARP11NOTUM
SCHEMBL23055381 0.74 NOTUM (0.38) PARP10PARP11NOTUM
SCHEMBL18392953 0.72 NOTUM (0.34) MAP4K1PARP10PARP11NOTUM
SCHEMBL30107339 0.71 NOTUM (0.32) MAP4K1PARP10PARP11NOTUM
SCHEMBL21029685 0.69 NOTUM (0.32) PARP10PARP11NOTUM
SCHEMBL15870167 0.68 HTR2A (0.37) MAP4K1PARP10PARP11NOTUM
SCHEMBL25111467 0.68 NOTUM (0.34) MAP4K1NOTUM
SCHEMBL14671492 0.68 MAP4K1 (0.38) MAP4K1NOTUM
SCHEMBL19633371 0.68 NOTUM (0.35) MAP4K1PARP10PARP11NOTUM
SCHEMBL30955180 0.66 NOTUM (0.37) NOTUM

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
EP-4638441-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2025-10-29 EP disclosed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed