SCHEMBL28982170

SCHEMBL28982170

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NC(C)CNC(=O)C1CCN(CC2CN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.33
▸ JAK1 P23458 7/20 0.33
▸ TBK1 Q9UHD2 2/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ TTK P33981 1/20 0.30
▸ PTK6 Q13882 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL28982168 1.00 JAK2 (0.33) JAK2JAK1TBK1P2RX3TTK
SCHEMBL28982229 0.94 JAK2 (0.35) JAK2JAK1TBK1TTKPTK6
SCHEMBL28982227 0.94 JAK2 (0.35) JAK2JAK1TBK1TTKPTK6
SCHEMBL25176001 0.94 — —
SCHEMBL22123534 0.91 PTK6 (0.33) JAK2JAK1TTKPTK6
SCHEMBL22123535 0.91 PTK6 (0.33) JAK2JAK1TTKPTK6
Iodide SCHEMBL25175987 0.91 TBK1 (0.32) JAK2JAK1TBK1
Iodide SCHEMBL25175988 0.91 TBK1 (0.32) JAK2JAK1TBK1
SCHEMBL30385397 0.90 JAK2 (0.35) JAK2JAK1TBK1TYK2JAK3
SCHEMBL30385462 0.90 CYP2C9 (0.34) JAK2JAK1TBK1P2RX3TTK

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
CN-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
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