SCHEMBL31663367

SCHEMBL31663367

c1cc2ccc(CNc3cnc4ccc(N5CCOCC5)nc4n3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.43
MET P08581 1/20 0.41
PIK3CB P42338 6/20 0.41
MAPK1 P28482 3/20 0.40
CYP11B2 P19099 1/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 1/20 0.39
ATR Q13535 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ABL1 P00519 1/20 0.36
ACHE P22303 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL31662877 0.93 PIK3CA (0.43) PIK3CAPIK3CBMAPK1CYP11B2MTOR
SCHEMBL31662995 0.91 MET (0.43) PIK3CAMETMAPK1PARP1PARP2
SCHEMBL31663287 0.91 MET (0.43) PIK3CAMETMAPK1PARP1PARP2
SCHEMBL31663291 0.91 MET (0.40) PIK3CAMETPIK3CBMAPK1CYP11B2
SCHEMBL31663058 0.90 MET (0.42) PIK3CAMETMAPK1PARP1PARP2
SCHEMBL31663227 0.89 MET (0.42) METMAPK1PARP1PARP2ABL1
SCHEMBL31663126 0.89 MET (0.53) METPARP1PARP2
SCHEMBL31663005 0.88 MET (0.41) PIK3CAMETMAPK1PARP1PARP2
SCHEMBL31662925 0.87 MET (0.40) PIK3CAMETMAPK1PARP1PARP2
SCHEMBL31662918 0.86 MET (0.40) PIK3CAMETMAPK1PARP1PARP2

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