SCHEMBL31361637

SCHEMBL31361637

CN1CC[C@@H](n2cc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(OC4CC4)n3)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 3/20 0.50
KDR P35968 3/20 0.50
JAK1 P23458 8/20 0.49
JAK3 P52333 8/20 0.49
JAK2 O60674 7/20 0.49
MELK Q14680 7/20 0.49
TYK2 P29597 2/20 0.47
MAP3K7 O43318 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP2K1 Q02750 1/20 0.44
HCK P08631 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL31361564 0.95 JAK3 (0.53) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361614 0.95 JAK1 (0.51) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361634 0.90 JAK3 (0.59) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361736 0.89 JAK3 (0.50) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361660 0.89 JAK1 (0.48) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361679 0.88 JAK1 (0.54) KDRJAK1JAK3JAK2MELK
SCHEMBL31454767 0.87 FLT4 (0.54) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361719 0.87 JAK3 (0.61) JAK1JAK3JAK2TYK2MAP3K7
SCHEMBL31361689 0.87 JAK3 (0.50) FLT4KDRJAK1JAK3JAK2
SCHEMBL31361667 0.85 JAK3 (0.47) JAK1JAK3JAK2TYK2MAP3K7

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