SCHEMBL31662872

SCHEMBL31662872

OCC1(CO)CCN(c2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.39
ABL1 P00519 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
F2 P00734 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
NMT1 P30419 1/20 0.32
PTPN11 Q06124 2/20 0.32
PIK3CA P42336 1/20 0.31
MAPK1 P28482 3/20 0.31
BACE1 P56817 1/20 0.31
NLRP3 Q96P20 1/20 0.31
CACNA1H O95180 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
SCHEMBL31663287 0.88 MET (0.43) METABL1PARP1PARP2CCNT1
SCHEMBL31662995 0.88 MET (0.43) METABL1PARP1PARP2CCNT1
SCHEMBL31663044 0.88 MET (0.39) METABL1PARP1PARP2CCNT1
SCHEMBL31663058 0.87 MET (0.42) METABL1PARP1PARP2CCNT1
SCHEMBL31663354 0.87 MET (0.44) METABL1PARP1PARP2CCNT1
SCHEMBL31663059 0.87 MET (0.40) METABL1PARP1PARP2CCNT1
SCHEMBL31663005 0.86 MET (0.41) METABL1PARP1PARP2CCNT1
SCHEMBL31663227 0.86 MET (0.42) METABL1PARP1PARP2CCNT1
SCHEMBL31663073 0.86 MET (0.41) METABL1PARP1PARP2CCNT1
SCHEMBL31663367 0.85 PIK3CA (0.43) METABL1PARP1PARP2PIK3CA

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