SCHEMBL31663352

SCHEMBL31663352

OC[C@@H]1CCN(c2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)C[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.37
ABL1 P00519 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
ROCK2 O75116 1/20 0.34
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRNA7 P36544 1/20 0.32
F2 P00734 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
RET P07949 1/20 0.31
HDAC1 Q13547 1/20 0.31
METTL3 Q86U44 1/20 0.31
METTL14 Q9HCE5 1/20 0.31
PDE10A Q9Y233 2/20 0.30
PRMT5 O14744 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
SCHEMBL31662921 1.00 MET (0.37) METABL1CCNT1CDK9ROCK2
SCHEMBL31663101 0.93 MET (0.37) METABL1CCNT1CDK9ROCK2
SCHEMBL31663055 0.93 MET (0.37) METABL1CCNT1CDK9ROCK2
SCHEMBL31663243 0.93 MET (0.37) METABL1CCNT1CDK9ROCK2
SCHEMBL31663069 0.89 MET (0.40) METABL1CCNT1CDK9PDE10A
SCHEMBL31663010 0.89 MET (0.40) METABL1CCNT1CDK9PDE10A
SCHEMBL31663011 0.89 MET (0.39) METABL1CCNT1CDK9ROCK2
SCHEMBL31663187 0.89 MET (0.39) METABL1CCNT1CDK9ROCK2
SCHEMBL31663005 0.88 MET (0.41) METABL1CCNT1CDK9ROCK2
SCHEMBL31663073 0.87 MET (0.41) METABL1CCNT1CDK9PARP1

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
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed