SCHEMBL30356176

SCHEMBL30356176

O=C(Nc1nc(-c2ccc(CNc3cccc(F)c3)cc2)c2nc[nH]c2n1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.46
▸ JAK1 P23458 5/20 0.45
▸ JAK3 P52333 2/20 0.44
▸ GSK3B P49841 2/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ F10 P00742 2/20 0.42
▸ GAK O14976 2/20 0.41
▸ STK16 O75716 2/20 0.41
▸ AAK1 Q2M2I8 2/20 0.41
▸ BMP2K Q9NSY1 2/20 0.41
▸ MAPK14 Q16539 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
SCHEMBL20919114 1.00 JAK2 (0.46) JAK2JAK1JAK3GSK3BGSK3A
SCHEMBL20918792 0.89 JAK1 (0.55) JAK2JAK1JAK3GSK3BGSK3A
SCHEMBL30356243 0.89 JAK1 (0.55) JAK2JAK1JAK3GSK3BGSK3A
SCHEMBL20918022 0.77 JAK1 (0.67) JAK1JAK3
SCHEMBL30356051 0.77 JAK1 (0.67) JAK1JAK3
SCHEMBL30009335 0.75 AURKA (0.46) JAK2JAK3GSK3BGSK3AMAPK14
SCHEMBL20918093 0.74 JAK1 (0.77) JAK1
SCHEMBL20918015 0.73 JAK1 (0.71) JAK1
SCHEMBL20930670 0.73 JAK1 (0.51) JAK1
SCHEMBL30356056 0.73 JAK1 (0.71) JAK1

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-111372931-B Heterocyclic compounds as protein kinase inhibitors 怡诺安有限公司 2023-03-24 — — CN disclosed
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