SCHEMBL31663071

SCHEMBL31663071

OCCCNc1ccc2ncc(NCc3ccc4cc[nH]c4c3)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
ABL1 P00519 1/20 0.40
MET P08581 1/20 0.37
F2 P00734 1/20 0.36
MAPK1 P28482 3/20 0.36
PIK3CA P42336 3/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL31662873 0.88 ABL1 (0.43) ABL1METF2MAPK1METTL3
SCHEMBL31663019 0.85 ABL1 (0.39) ABL1METF2CCNT1CDK9
SCHEMBL31663418 0.84 ABL1 (0.39) ABL1METF2PIK3CAMETTL3
SCHEMBL31663038 0.83 ABL1 (0.40) ABL1METF2PIK3CAMETTL3
SCHEMBL31663364 0.82 ABL1 (0.41) ABL1METF2METTL3METTL14
SCHEMBL31663161 0.80 ABL1 (0.39) ABL1METF2MAPK1METTL3
SCHEMBL31663130 0.80 CCNT1 (0.40) FYNABL1METF2MAPK1
SCHEMBL31662905 0.80 ABL1 (0.39) ABL1METF2MAPK1METTL3
SCHEMBL31663091 0.79 ROCK2 (0.39) ABL1METMAPK1CCNT1CDK9
SCHEMBL31663009 0.78 BACE1 (0.47) ABL1METF2METTL3METTL14

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