SCHEMBL27418966

SCHEMBL27418966

COc1c(Nc2nc(Nc3cnn(CCN(CC(C)C)CC(C)C)c3)ncc2C(=O)O)cccc1-c1ncn(C)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.44
▸ JAK3 P52333 16/20 0.44
▸ JAK2 O60674 14/20 0.44
▸ TYK2 P29597 5/20 0.44
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL31711635 1.00 JAK1 (0.44) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27415316 0.94 JAK3 (0.52) JAK1JAK3JAK2TYK2
SCHEMBL31711658 0.94 JAK3 (0.52) JAK1JAK3JAK2TYK2
SCHEMBL31711628 0.92 JAK1 (0.46) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27419238 0.92 JAK3 (0.51) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27418569 0.92 JAK1 (0.46) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL31711618 0.92 JAK3 (0.51) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27418945 0.92 JAK1 (0.43) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL31711621 0.90 JAK2 (0.54) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27418883 0.90 JAK2 (0.54) JAK1JAK3JAK2TYK2KCNH2

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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