SCHEMBL30496105

SCHEMBL30496105

O=c1[nH]c(C2CCNCC2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.54
KHK P50053 2/20 0.51
TNKS2 Q9H2K2 3/20 0.49
QTRT1 Q9BXR0 1/20 0.49
TNKS O95271 1/20 0.47
ROCK2 O75116 1/20 0.46
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL7713954 1.00 PARP1 (0.54) PARP1KHKTNKS2QTRT1TNKS
SCHEMBL25362191 0.91 PARP1 (0.52) PARP1KHKTNKS2QTRT1TNKS
SCHEMBL28004053 0.91 PARP1 (0.62) PARP1TNKS2QTRT1TNKSROCK2
SCHEMBL16404341 0.91 PARP1 (0.62) PARP1TNKS2QTRT1TNKSROCK2
SCHEMBL28501122 0.88 PARP1 (0.58) PARP1TNKS2QTRT1TNKSROCK2
SCHEMBL28507693 0.88 PARP1 (0.56) PARP1TNKS2QTRT1TNKSKMT2A
SCHEMBL28113245 0.86 PARP1 (0.55) PARP1TNKS2QTRT1TNKS
SCHEMBL29499006 0.86 PARP1 (0.55) PARP1TNKS2QTRT1TNKS
SCHEMBL25362490 0.84 PARP1 (0.52) PARP1KHKTNKS2TNKS
SCHEMBL30176907 0.84 PARP1 (0.53) PARP1TNKS2QTRT1TNKSROCK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 EP disclosed
CN-118973578-A Pharmaceutical compounds 杜克街生物有限公司 2024-11-15 CN disclosed
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 WO disclosed