SCHEMBL26067140

SCHEMBL26067140

COc1nn(C)cc1Nc1ncc(F)c(-c2c[nH]c3c(NC(=O)CN4CCN(C)CC4)cccc23)n1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 17/20 0.77
▸ JAK2 O60674 15/20 0.77
▸ JAK3 P52333 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65

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
SCHEMBL26067068 0.94 JAK1 (0.78) JAK1JAK2
SCHEMBL26067111 0.92 JAK1 (0.76) JAK1JAK2JAK3KCNH2
SCHEMBL26303914 0.91 JAK1 (0.76) JAK1JAK2
SCHEMBL25407580 0.89 JAK1 (0.74) JAK1JAK2
SCHEMBL26067049 0.87 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29395238 0.87 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL18662590 0.87 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL25407076 0.87 JAK1 (1.00) JAK1JAK2JAK3KCNH2
SCHEMBL29392371 0.86 JAK1 (1.00) JAK1JAK2
SCHEMBL25408693 0.86 JAK1 (1.00) JAK1JAK2

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
EP-4219482-A1 COMPOUNDS AND METHODS FOR INHIBITING JAK DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-08-02 — — EP disclosed
Send feedback