SCHEMBL31662925

SCHEMBL31662925

c1cc2ccc(CNc3cnc4ccc(N5CCN(C6COC6)CC5)nc4n3)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.40
SYK P43405 5/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
ENPP2 Q13822 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
PIM1 P11309 1/20 0.34
ABL1 P00519 1/20 0.34
PIK3CA P42336 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
NAMPT P43490 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 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
SCHEMBL31663367 0.87 PIK3CA (0.43) METPARP1PARP2ABL1PIK3CA
SCHEMBL31663287 0.86 MET (0.43) METPARP1PARP2CCNT1CDK9
SCHEMBL31662995 0.86 MET (0.43) METPARP1PARP2CCNT1CDK9
SCHEMBL31663126 0.86 MET (0.53) METPARP1PARP2CCNT1CDK9
SCHEMBL31663058 0.85 MET (0.42) METPARP1PARP2CCNT1CDK9
SCHEMBL31663005 0.85 MET (0.41) METPARP1PARP2CCNT1CDK9
SCHEMBL31663227 0.85 MET (0.42) METPARP1PARP2CCNT1CDK9
SCHEMBL31663291 0.83 MET (0.40) METPARP1PARP2CCNT1CDK9
SCHEMBL31663073 0.82 MET (0.41) METPARP1PARP2CCNT1CDK9
SCHEMBL31663240 0.82 MET (0.39) METPARP1PARP2CCNT1CDK9

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