SCHEMBL27414995

SCHEMBL27414995

COc1c(Nc2nc(Nc3cnn(C(C)C)c3)ncc2C(N)=O)cccc1-c1nc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.61
▸ JAK1 P23458 19/20 0.61
▸ JAK2 O60674 13/20 0.61
▸ TYK2 P29597 9/20 0.57
▸ CDC7 O00311 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ SYK P43405 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK7 P50613 1/20 0.44

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
SCHEMBL31711631 1.00 JAK3 (0.61) JAK3JAK1JAK2TYK2CDC7
SCHEMBL27417948 0.94 JAK3 (0.53) JAK3JAK1JAK2TYK2CDC7
SCHEMBL31711649 0.94 JAK3 (0.53) JAK3JAK1JAK2TYK2CDC7
SCHEMBL27416768 0.92 JAK3 (0.57) JAK3JAK1JAK2TYK2
SCHEMBL27416297 0.91 JAK3 (0.56) JAK3JAK1JAK2TYK2CDC7
SCHEMBL27414876 0.90 JAK3 (0.59) JAK3JAK1JAK2TYK2CDC7
SCHEMBL31711654 0.90 JAK3 (0.59) JAK3JAK1JAK2TYK2CDC7
SCHEMBL27417930 0.90 JAK1 (0.52) JAK3JAK1JAK2TYK2
SCHEMBL27416296 0.90 JAK3 (0.54) JAK3JAK1JAK2TYK2
SCHEMBL27416126 0.89 JAK3 (0.53) 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
Send feedback