SCHEMBL27414754

SCHEMBL27414754

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.62
▸ JAK1 P23458 17/20 0.62
▸ TYK2 P29597 8/20 0.62
▸ JAK2 O60674 12/20 0.62
▸ CDC7 O00311 2/20 0.48
▸ DAPK3 O43293 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ PRKD3 O94806 2/20 0.48
▸ MAP4K4 O95819 2/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ PIM1 P11309 2/20 0.48
▸ PRKACA P17612 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ SYK P43405 2/20 0.48
▸ CSNK1A1 P48729 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ CDK7 P50613 2/20 0.48
▸ CDK9 P50750 2/20 0.48

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
SCHEMBL31711661 1.00 JAK3 (0.62) JAK3JAK1TYK2JAK2CDC7
SCHEMBL27419039 0.93 JAK1 (0.52) JAK3JAK1TYK2JAK2
SCHEMBL31711623 0.93 JAK1 (0.52) JAK3JAK1TYK2JAK2
SCHEMBL31711636 0.91 JAK3 (0.61) JAK3JAK1TYK2JAK2CDC7
SCHEMBL27414685 0.91 JAK3 (0.61) JAK3JAK1TYK2JAK2CDC7
SCHEMBL27423017 0.91 JAK1 (0.50) JAK3JAK1TYK2JAK2
SCHEMBL31711651 0.91 JAK1 (0.50) JAK3JAK1TYK2JAK2
SCHEMBL27419137 0.90 JAK1 (0.53) JAK3JAK1TYK2JAK2
SCHEMBL31711674 0.90 JAK1 (0.53) JAK3JAK1TYK2JAK2
SCHEMBL31711665 0.89 JAK3 (0.55) JAK3JAK1TYK2JAK2

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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