SCHEMBL31035013

SCHEMBL31035013

O=c1[nH]nc(Br)n2nccc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL23925544 0.74 PDE4B (0.34) GAA
SCHEMBL25344154 0.72 CDK5 (0.31) CDK5CDK5R1
SCHEMBL25347234 0.68 PDE3A (0.33) CDK5CDK5R1
SCHEMBL23950469 0.66 PDE4B (0.38) GAA
SCHEMBL23950161 0.66 PDE4B (0.40) GAA
SCHEMBL31684809 0.65 TP53 (0.54) CDK5CDK5R1
SCHEMBL23925370 0.64 PARP1 (0.39)
SCHEMBL4194913 0.64 PIK3CA (0.36) CDK5CDK5R1
SCHEMBL31521324 0.63 PDE10A (0.34) CDK5CDK5R1
SCHEMBL16317806 0.62 PARP1 (0.51) CDK5CDK5R1

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-4658654-A1 PYRROLO[1,2-D][1,2,4]TRIAZINES AND PYRAZOLO[1,5-D] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS Janssen Pharmaceutica NV (BE) 2025-12-10 EP disclosed
WO-2024160691-A1 PYRROLO[1,2-d][1,2,4]TRIAZINES AND PYRAZOLO[1,5-d] [1,2,4]TRIAZINES AS NLRP3 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-08-08 WO disclosed