SCHEMBL31711649

SCHEMBL31711649

COc1c(Nc2nc(Nc3cnn(C(C)C)c3)ncc2C(=O)O)cccc1-c1nc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.53
▸ JAK1 P23458 14/20 0.53
▸ JAK2 O60674 11/20 0.53
▸ TYK2 P29597 7/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ AURKA O14965 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ ALK Q9UM73 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ SYK P43405 1/20 0.39

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
SCHEMBL27417948 1.00 JAK3 (0.53) JAK3JAK1JAK2TYK2NPSR1
SCHEMBL31711631 0.94 JAK3 (0.61) JAK3JAK1JAK2TYK2ALK
SCHEMBL27414995 0.94 JAK3 (0.61) JAK3JAK1JAK2TYK2ALK
SCHEMBL27417930 0.91 JAK1 (0.52) JAK3JAK1JAK2TYK2NPSR1
SCHEMBL27419743 0.90 JAK3 (0.50) JAK3JAK1JAK2TYK2AURKB
SCHEMBL27416768 0.86 JAK3 (0.57) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL27417367 0.85 JAK3 (0.49) JAK3JAK1JAK2TYK2
SCHEMBL31711663 0.85 JAK3 (0.49) JAK3JAK1JAK2TYK2
SCHEMBL27416297 0.85 JAK3 (0.56) JAK3JAK1JAK2TYK2ALK
SCHEMBL31711654 0.84 JAK3 (0.59) JAK3JAK1JAK2TYK2AURKB

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
EP-4637738-A2 INHIBITORS OF JAK2 Llydaw Therapeutics, Inc. (US) 2025-10-29 — — EP disclosed
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