SCHEMBL31663044

SCHEMBL31663044

c1cc2ccc(CNc3cnc4ccc(N5CCC6(CC5)CNC6)nc4n3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ABL1 P00519 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
PTPN11 Q06124 2/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NMT1 P30419 1/20 0.32
MCHR1 Q99705 1/20 0.32
F2 P00734 1/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32

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
SCHEMBL31663359 0.95 MET (0.38) METPARP1PARP2HRH3ABL1
SCHEMBL31663059 0.92 MET (0.40) METPARP1PARP2ABL1CCNT1
SCHEMBL31663157 0.91 MET (0.38) METPARP1PARP2HRH3ABL1
SCHEMBL31663354 0.90 MET (0.44) METPARP1PARP2HRH3ABL1
SCHEMBL31663291 0.90 MET (0.40) METPARP1PARP2ABL1CCNT1
SCHEMBL31663227 0.88 MET (0.42) METPARP1PARP2ABL1CCNT1
SCHEMBL31663287 0.88 MET (0.43) METPARP1PARP2ABL1CCNT1
SCHEMBL31662995 0.88 MET (0.43) METPARP1PARP2ABL1CCNT1
SCHEMBL31662872 0.88 MET (0.39) METPARP1PARP2ABL1CCNT1
SCHEMBL31663058 0.87 MET (0.42) METPARP1PARP2ABL1CCNT1

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