SCHEMBL27418552

SCHEMBL27418552

CCOC(=O)c1cnc(Nc2cnn(CCC(C)C)c2)nc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.46
▸ JAK3 P52333 14/20 0.46
▸ JAK2 O60674 10/20 0.46
▸ TYK2 P29597 6/20 0.44
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNH2 Q12809 1/20 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
SCHEMBL27418945 0.93 JAK1 (0.43) JAK1JAK3JAK2TYK2USP2
SCHEMBL27419078 0.92 JAK3 (0.50) JAK1JAK3JAK2TYK2USP2
SCHEMBL31711628 0.91 JAK1 (0.46) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27418569 0.91 JAK1 (0.46) JAK1JAK3JAK2TYK2KCNH2
SCHEMBL27415142 0.91 JAK3 (0.55) JAK1JAK3JAK2TYK2
SCHEMBL31711665 0.91 JAK3 (0.55) JAK1JAK3JAK2TYK2
SCHEMBL31711643 0.90 JAK3 (0.49) JAK1JAK3JAK2TYK2USP2
SCHEMBL27418635 0.90 JAK3 (0.50) JAK1JAK3JAK2TYK2USP2
SCHEMBL27418707 0.90 JAK3 (0.50) JAK1JAK3JAK2TYK2USP2
SCHEMBL27419216 0.90 JAK3 (0.49) JAK1JAK3JAK2TYK2USP2

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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