SCHEMBL31361601

SCHEMBL31361601

CN1CCC(n2cc(Nc3ncc(C(=O)Nc4c(Cl)cccc4Cl)c(OC4CC(OCc5ccccc5)C4)n3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 7/20 0.47
KDR P35968 6/20 0.47
JAK3 P52333 7/20 0.46
JAK2 O60674 6/20 0.46
JAK1 P23458 6/20 0.46
TYK2 P29597 1/20 0.44
MAP3K7 O43318 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K1 Q02750 1/20 0.43
IGF1R P08069 2/20 0.42
MELK Q14680 3/20 0.42

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
SCHEMBL31361736 0.89 JAK3 (0.50) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361564 0.89 JAK3 (0.53) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361637 0.85 FLT4 (0.50) FLT4KDRJAK3JAK2JAK1
SCHEMBL31454767 0.85 FLT4 (0.54) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361634 0.84 JAK3 (0.59) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361622 0.83 JAK3 (0.51) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361614 0.83 JAK1 (0.51) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361728 0.83 JAK3 (0.51) FLT4KDRJAK3JAK2JAK1
SCHEMBL31361592 0.82 JAK3 (0.52) FLT4KDRJAK3JAK2JAK1
SCHEMBL30962648 0.82 JAK3 (0.54) FLT4KDRJAK3JAK2JAK1

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