SCHEMBL31286733

SCHEMBL31286733

O=C(CCN1CCNCC1)Nc1cn2cc(Br)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.47
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
CLK2 P49760 1/20 0.39
CHRNA3 P32297 1/20 0.39
ROCK2 O75116 1/20 0.39
KHK P50053 1/20 0.37
TERT O14746 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL31286931 0.89 MAP3K5 (0.48) MAP3K5L3MBTL1HTTLMNAKDM4E
SCHEMBL31286952 0.81 SMN1; SMN2 (0.50) MAP3K5TP53L3MBTL1HTTLMNA
SCHEMBL31286840 0.76 MAP3K5 (0.56) MAP3K5HTTLMNASMN1; SMN2KDM4E
SCHEMBL17065991 0.76 MAP3K5 (0.56) MAP3K5SMN1; SMN2KDM4EROCK2
SCHEMBL25131709 0.74 SMN1; SMN2 (0.48) TP53L3MBTL1HTTLMNASMN1; SMN2
SCHEMBL17065980 0.72 MAP3K5 (0.56) MAP3K5TP53SMN1; SMN2KDM4EROCK2
SCHEMBL14247285 0.72 MAP3K5 (0.61) MAP3K5SMN1; SMN2KDM4EROCK2
SCHEMBL2947671 0.71 MAP3K5 (0.64) MAP3K5SMN1; SMN2KDM4E
SCHEMBL17065938 0.71 MAP3K5 (0.56) MAP3K5
SCHEMBL31286867 0.70 MAP3K5 (0.50) MAP3K5LMNAKDM4ECLK2ROCK2

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-4747248-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2026-05-27 EP disclosed
WO-2025022093-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2025-01-30 WO disclosed