SCHEMBL28805477

SCHEMBL28805477

CCC(=O)N1CCCCC1n1cc(Nc2ncc(C)c(-c3ccc(C(C)C)c(F)c3)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.42
▸ TYK2 P29597 11/20 0.42
▸ JAK1 P23458 5/20 0.40
▸ JAK3 P52333 5/20 0.40
▸ FLT3 P36888 4/20 0.40
▸ CDK4 P11802 4/20 0.40
▸ CDK6 Q00534 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ LYN P07948 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ AXL P30530 4/20 0.39
▸ CCNA2 P20248 1/20 0.39

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
SCHEMBL27917420 0.90 AXL (0.40) JAK2TYK2JAK1JAK3FLT3
SCHEMBL28807355 0.88 JAK2 (0.43) JAK2TYK2JAK1JAK3FLT3
SCHEMBL27917289 0.84 JAK2 (0.44) JAK2TYK2JAK1JAK3FLT3
SCHEMBL28805482 0.83 JAK2 (0.41) JAK2TYK2JAK1JAK3FLT3
SCHEMBL30891589 0.78 GFER (0.39) JAK2TYK2JAK1JAK3FLT3
SCHEMBL27935904 0.76 JAK2 (0.43) JAK2TYK2JAK1JAK3FLT3
SCHEMBL27917233 0.74 JAK2 (0.41) JAK2TYK2JAK1JAK3FLT3
SCHEMBL30891576 0.73 JAK3 (0.36) JAK2TYK2JAK1JAK3AXL
SCHEMBL22097718 0.72 JAK3 (0.48) JAK2TYK2JAK1JAK3CDK4
SCHEMBL30956628 0.72 DYRK2 (0.40) JAK2TYK2JAK1JAK3FLT3

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-103298794-A Pyridine compounds and aza analogues thereof as TYK2 inhibitors CELLZOME LTD 2013-09-11 — — CN claimed
CN-103298794-A Pyridine compounds and aza analogues thereof as TYK2 inhibitors CELLZOME LTD 2013-09-11 — — CN disclosed
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