SCHEMBL31663097

SCHEMBL31663097

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
MET P08581 1/20 0.37
PTGER4 P35408 2/20 0.36
ROCK2 O75116 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
ABL1 P00519 1/20 0.35
PRCP P42785 1/20 0.34
KHK P50053 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 1/20 0.33
METTL3 Q86U44 2/20 0.33
METTL14 Q9HCE5 2/20 0.33
PRMT5 O14744 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
SCHEMBL31663372 1.00 MAP4K4 (0.43) MAP4K4METPTGER4ROCK2CCNT1
SCHEMBL31663010 0.95 MET (0.40) MAP4K4METPTGER4CCNT1CDK9
SCHEMBL31663069 0.95 MET (0.40) MAP4K4METPTGER4CCNT1CDK9
SCHEMBL31663117 0.90 MET (0.38) METROCK2CCNT1CDK9ABL1
SCHEMBL31662996 0.90 MET (0.38) METROCK2CCNT1CDK9ABL1
SCHEMBL31663076 0.90 MET (0.38) METROCK2CCNT1CDK9ABL1
SCHEMBL31663073 0.90 MET (0.41) METCCNT1CDK9ABL1
SCHEMBL31663287 0.87 MET (0.43) MAP4K4METROCK2CCNT1CDK9
SCHEMBL31662995 0.87 MET (0.43) MAP4K4METROCK2CCNT1CDK9
SCHEMBL31663058 0.86 MET (0.42) MAP4K4METROCK2CCNT1CDK9

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