SCHEMBL31663076

SCHEMBL31663076

O[C@H]1CCCN(c2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
ROCK2 O75116 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
MAPK8 P45983 1/20 0.36
ABL1 P00519 1/20 0.35
PIM1 P11309 4/20 0.35
PRCP P42785 1/20 0.35
SMPD3 Q9NY59 2/20 0.34
SYK P43405 2/20 0.34
DGAT2 Q96PD7 2/20 0.34
JAK2 O60674 2/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL31663117 1.00 MET (0.38) METROCK2CCNT1CDK9MAPK8
SCHEMBL31662996 1.00 MET (0.38) METROCK2CCNT1CDK9MAPK8
SCHEMBL31663011 0.95 MET (0.39) METROCK2CCNT1CDK9ABL1
SCHEMBL31663187 0.95 MET (0.39) METROCK2CCNT1CDK9ABL1
SCHEMBL31663240 0.91 MET (0.39) METROCK2CCNT1CDK9ABL1
SCHEMBL31663005 0.90 MET (0.41) METROCK2CCNT1CDK9MAPK8
SCHEMBL31663372 0.90 MAP4K4 (0.43) METROCK2CCNT1CDK9ABL1
SCHEMBL31663097 0.90 MAP4K4 (0.43) METROCK2CCNT1CDK9ABL1
SCHEMBL31662995 0.88 MET (0.43) METROCK2CCNT1CDK9MAPK8
SCHEMBL31663287 0.88 MET (0.43) METROCK2CCNT1CDK9MAPK8

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