SCHEMBL27419238

SCHEMBL27419238

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.51
▸ JAK1 P23458 15/20 0.51
▸ JAK2 O60674 14/20 0.51
▸ TYK2 P29597 5/20 0.51
▸ EGFR P00533 1/20 0.43
▸ KCNH2 Q12809 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
SCHEMBL31711618 1.00 JAK3 (0.51) JAK3JAK1JAK2TYK2EGFR
SCHEMBL31711621 0.96 JAK2 (0.54) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL27418883 0.96 JAK2 (0.54) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL27414755 0.93 JAK3 (0.59) JAK3JAK1JAK2TYK2
SCHEMBL31711624 0.93 JAK3 (0.59) JAK3JAK1JAK2TYK2
SCHEMBL27418966 0.92 JAK1 (0.44) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL31711635 0.92 JAK1 (0.44) JAK3JAK1JAK2TYK2KCNH2
SCHEMBL27419216 0.91 JAK3 (0.49) JAK3JAK1JAK2TYK2EGFR
SCHEMBL31711643 0.91 JAK3 (0.49) JAK3JAK1JAK2TYK2EGFR
SCHEMBL31711641 0.90 JAK3 (0.61) 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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