SCHEMBL31662929

SCHEMBL31662929

OC1CC2(C1)CC(Nc1ccc3ncc(NCc4ccc5cc[nH]c5c4)nc3n1)C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.39
CCNT1 O60563 4/20 0.34
MET P08581 1/20 0.34
CDK9 P50750 1/20 0.34
MAPK1 P28482 1/20 0.33
NMT1 P30419 1/20 0.33
F2 P00734 1/20 0.32
ROCK2 O75116 3/20 0.32
SRC P12931 1/20 0.32
METTL3 Q86U44 1/20 0.32
METTL14 Q9HCE5 1/20 0.32
BACE1 P56817 1/20 0.32
NLRP3 Q96P20 1/20 0.32
PRKCQ Q04759 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
APP P05067 1/20 0.30

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
SCHEMBL31663094 0.89 ABL1 (0.37) ABL1CCNT1METCDK9MAPK1
SCHEMBL31662905 0.89 ABL1 (0.39) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663130 0.89 CCNT1 (0.40) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663161 0.89 ABL1 (0.39) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663262 0.88 ABL1 (0.36) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663091 0.84 ROCK2 (0.39) ABL1CCNT1METCDK9MAPK1
SCHEMBL31662916 0.82 MAPK1 (0.46) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663275 0.82 CCNT1 (0.41) ABL1CCNT1
SCHEMBL31663270 0.80 IRAK4 (0.44) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663240 0.79 MET (0.39) ABL1CCNT1METCDK9MAPK1

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