SCHEMBL31663094

SCHEMBL31663094

c1cc2ccc(CNc3cnc4ccc(NC5CC6(COC6)C5)nc4n3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
MET P08581 1/20 0.36
BACE1 P56817 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
MAPK1 P28482 1/20 0.34
NMT1 P30419 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.32
FTO Q9C0B1 1/20 0.32
ROCK2 O75116 1/20 0.32
FYN P06241 1/20 0.31
F2 P00734 1/20 0.31
APP P05067 1/20 0.30
SRC P12931 1/20 0.30
METTL3 Q86U44 1/20 0.30
METTL14 Q9HCE5 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
SCHEMBL31662929 0.89 ABL1 (0.39) ABL1METBACE1CCNT1CDK9
SCHEMBL31663262 0.88 ABL1 (0.36) ABL1METBACE1CCNT1CDK9
SCHEMBL31662916 0.86 MAPK1 (0.46) ABL1METCCNT1CDK9MAPK1
SCHEMBL31663091 0.84 ROCK2 (0.39) ABL1METCCNT1CDK9MAPK1
SCHEMBL31662905 0.83 ABL1 (0.39) ABL1METBACE1CCNT1CDK9
SCHEMBL31663161 0.83 ABL1 (0.39) ABL1METBACE1CCNT1CDK9
SCHEMBL31663130 0.83 CCNT1 (0.40) ABL1METCCNT1CDK9MAPK1
SCHEMBL31663275 0.82 CCNT1 (0.41) ABL1CCNT1
SCHEMBL31662918 0.82 MET (0.40) ABL1METBACE1CCNT1CDK9
SCHEMBL31663270 0.80 IRAK4 (0.44) ABL1METCCNT1CDK9MAPK1

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