SCHEMBL31663359

SCHEMBL31663359

c1cc2ccc(CNc3cnc4ccc(N5CCC6(CNC6)C5)nc4n3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.38
MCHR1 Q99705 1/20 0.36
ABL1 P00519 1/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
PTPN11 Q06124 3/20 0.32
CCR4 P51679 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NMT1 P30419 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL31663044 0.95 MET (0.39) METMCHR1ABL1PARP1PARP2
SCHEMBL31663133 0.91 MET (0.39) METMCHR1ABL1PARP1PARP2
SCHEMBL31663059 0.89 MET (0.40) METMCHR1ABL1PARP1PARP2
SCHEMBL31663354 0.89 MET (0.44) METABL1PARP1PARP2CCNT1
SCHEMBL31663157 0.88 MET (0.38) METABL1PARP1PARP2CCNT1
SCHEMBL31663268 0.88 MET (0.37) METMCHR1ABL1PARP1PARP2
SCHEMBL31663291 0.86 MET (0.40) METABL1PARP1PARP2CCNT1
SCHEMBL31662918 0.85 MET (0.40) METABL1PARP1PARP2CCNT1
SCHEMBL31663227 0.85 MET (0.42) METABL1PARP1PARP2CCNT1
SCHEMBL31662995 0.84 MET (0.43) METABL1PARP1PARP2CCNT1

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