SCHEMBL27416768

SCHEMBL27416768

COc1c(Nc2nc(Nc3cnn(C(C)C)c3)ncc2C(N)=O)cccc1-c1nc2cc(Nc3cnn(C(C)C)c3)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.57
▸ JAK1 P23458 18/20 0.57
▸ JAK2 O60674 11/20 0.57
▸ TYK2 P29597 9/20 0.55
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 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
SCHEMBL27416297 0.93 JAK3 (0.56) JAK3JAK1JAK2TYK2
SCHEMBL27414995 0.92 JAK3 (0.61) JAK3JAK1JAK2TYK2
SCHEMBL31711631 0.92 JAK3 (0.61) JAK3JAK1JAK2TYK2
SCHEMBL27416296 0.92 JAK3 (0.54) JAK3JAK1JAK2TYK2
SCHEMBL27417948 0.86 JAK3 (0.53) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL31711649 0.86 JAK3 (0.53) JAK3JAK1JAK2TYK2MAPK8
SCHEMBL27417930 0.82 JAK1 (0.52) JAK3JAK1JAK2TYK2
SCHEMBL31711654 0.82 JAK3 (0.59) JAK3JAK1JAK2TYK2
SCHEMBL27414876 0.82 JAK3 (0.59) JAK3JAK1JAK2TYK2
SCHEMBL27416366 0.82 JAK3 (0.56) JAK3JAK1JAK2TYK2

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-2024137548-A2 INHIBITORS OF JAK2 Llydaw Therapeutics, Inc. (US) 2024-06-27 — — WO disclosed
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