SCHEMBL27917420

SCHEMBL27917420

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 5/20 0.40
▸ JAK2 O60674 11/20 0.40
▸ TYK2 P29597 7/20 0.40
▸ JAK1 P23458 7/20 0.39
▸ JAK3 P52333 7/20 0.39
▸ FLT3 P36888 4/20 0.39
▸ CDK4 P11802 3/20 0.39
▸ CDK6 Q00534 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ MYLK4 Q86YV6 1/20 0.38

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
SCHEMBL28805477 0.90 JAK2 (0.42) AXLJAK2TYK2JAK1JAK3
SCHEMBL30891589 0.87 GFER (0.39) AXLJAK2TYK2JAK1JAK3
SCHEMBL27917289 0.86 JAK2 (0.44) JAK2TYK2JAK1JAK3FLT3
SCHEMBL28807355 0.85 JAK2 (0.43) JAK2TYK2JAK1JAK3FLT3
SCHEMBL22544592 0.82 CDK4 (0.49) AXLJAK2TYK2JAK1JAK3
SCHEMBL29754277 0.82 CDK4 (0.49) AXLJAK2TYK2JAK1JAK3
SCHEMBL22546075 0.81 IGF1R (0.46) JAK2TYK2CDK4CDK6KCNH2
SCHEMBL29754173 0.81 IGF1R (0.46) JAK2TYK2CDK4CDK6KCNH2
SCHEMBL22544822 0.80 IGF1R (0.53) FLT4KCNH2CDK2
SCHEMBL22544564 0.80 CDK4 (0.54) AXLJAK2JAK1JAK3CDK4

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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