SCHEMBL31663073

SCHEMBL31663073

OCC1CCN(c2ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
PDE10A Q9Y233 11/20 0.36
PDE2A O00408 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE4D Q08499 2/20 0.36
ABL1 P00519 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CHRM4 P08173 1/20 0.35
PDE11A Q9HCR9 1/20 0.35

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
SCHEMBL31663010 0.95 MET (0.40) METCCNT1CDK9PDE10AABL1
SCHEMBL31663069 0.95 MET (0.40) METCCNT1CDK9PDE10AABL1
SCHEMBL31663005 0.92 MET (0.41) METCCNT1CDK9ABL1PARP1
SCHEMBL31663097 0.90 MAP4K4 (0.43) METCCNT1CDK9ABL1
SCHEMBL31663372 0.90 MAP4K4 (0.43) METCCNT1CDK9ABL1
SCHEMBL31663227 0.88 MET (0.42) METCCNT1CDK9PDE4DABL1
SCHEMBL31663287 0.88 MET (0.43) METCCNT1CDK9PDE4DABL1
SCHEMBL31662995 0.88 MET (0.43) METCCNT1CDK9PDE4DABL1
SCHEMBL31663187 0.88 MET (0.39) METCCNT1CDK9PDE10AABL1
SCHEMBL31663011 0.88 MET (0.39) METCCNT1CDK9PDE10AABL1

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