SCHEMBL28643796

SCHEMBL28643796

CC(C)(C)OC(=O)N1CCCC(c2nc(I)c3c(N)nccn23)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.60
▸ BTK Q06187 8/20 0.44
▸ FGFR4 P22455 6/20 0.44
▸ FGFR1 P11362 4/20 0.44
▸ FGFR3 P22607 2/20 0.44
▸ HPGDS O60760 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL28633843 1.00 TNK2 (0.60) TNK2BTKFGFR4FGFR1FGFR3
SCHEMBL26820282 0.95 TNK2 (0.59) TNK2BTKFGFR4FGFR1FGFR3
SCHEMBL26791421 0.95 TNK2 (0.59) TNK2BTKFGFR4FGFR1FGFR3
SCHEMBL28652429 0.89 TNK2 (0.51) TNK2BTKHPGDSJAK2JAK1
SCHEMBL18345263 0.89 TNK2 (0.60) TNK2BTKFGFR4FGFR1FGFR3
SCHEMBL16748869 0.89 TNK2 (0.60) TNK2BTKFGFR4FGFR1FGFR3
SCHEMBL26791423 0.83 TNK2 (0.50) TNK2BTKFGFR4FGFR1FGFR3
SCHEMBL21159579 0.81 TNK2 (0.51) TNK2BTKHPGDSJAK2JAK1
SCHEMBL21138763 0.81 TNK2 (0.51) TNK2BTKHPGDSJAK2JAK1
SCHEMBL29926503 0.81 TNK2 (0.51) TNK2BTKHPGDSJAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 — — CN disclosed
CN-113493439-A Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2021-10-12 — — CN disclosed
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