SCHEMBL31663005

SCHEMBL31663005

OC1CCN(c2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
CCNT1 O60563 2/20 0.39
CDK9 P50750 1/20 0.39
ABL1 P00519 1/20 0.38
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK1 P28482 2/20 0.35
F2 P00734 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
METTL3 Q86U44 1/20 0.34
METTL14 Q9HCE5 1/20 0.34
ROCK2 O75116 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
CHRM4 P08173 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
OGA O60502 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
SCHEMBL31663011 0.95 MET (0.39) METCCNT1CDK9ABL1PARP1
SCHEMBL31663187 0.95 MET (0.39) METCCNT1CDK9ABL1PARP1
SCHEMBL31663073 0.92 MET (0.41) METCCNT1CDK9ABL1PARP1
SCHEMBL31663240 0.91 MET (0.39) METCCNT1CDK9ABL1PARP1
SCHEMBL31663287 0.90 MET (0.43) METCCNT1CDK9ABL1PARP1
SCHEMBL31662995 0.90 MET (0.43) METCCNT1CDK9ABL1PARP1
SCHEMBL31663117 0.90 MET (0.38) METCCNT1CDK9ABL1PARP1
SCHEMBL31662996 0.90 MET (0.38) METCCNT1CDK9ABL1PARP1
SCHEMBL31663076 0.90 MET (0.38) METCCNT1CDK9ABL1PARP1
SCHEMBL31663058 0.89 MET (0.42) METCCNT1CDK9ABL1PARP1

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