SCHEMBL31361667

SCHEMBL31361667

O=C(Nc1c(Cl)cccc1Cl)c1cnc(Nc2cnn([C@@H]3CC[C@H]3O)c2)nc1OC1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.47
JAK1 P23458 10/20 0.47
JAK2 O60674 10/20 0.47
TYK2 P29597 4/20 0.45
HDAC3 O15379 5/20 0.43
HDAC6 Q9UBN7 5/20 0.43
HDAC1 Q13547 4/20 0.43
CDK9 P50750 4/20 0.41
MAP3K7 O43318 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K1 Q02750 1/20 0.40
TNK2 Q07912 2/20 0.39
HCK P08631 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL31361596 1.00 JAK3 (0.47) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361705 1.00 JAK3 (0.47) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361723 1.00 JAK3 (0.47) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361679 0.86 JAK1 (0.54) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361564 0.86 JAK3 (0.53) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL31361614 0.86 JAK1 (0.51) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361719 0.86 JAK3 (0.61) JAK3JAK1JAK2TYK2MAP3K7
SCHEMBL31361590 0.86 JAK3 (0.44) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361612 0.86 JAK3 (0.44) JAK3JAK1JAK2TYK2HDAC3
SCHEMBL31361637 0.85 FLT4 (0.50) JAK3JAK1JAK2TYK2MAP3K7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed