SCHEMBL30356243

SCHEMBL30356243

O=C(Nc1nc(-c2ccc(CNc3ccc(F)cc3)cc2)c2nc[nH]c2n1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 13/20 0.55
▸ JAK2 O60674 4/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ GSK3B P49841 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ GSK3A P49840 1/20 0.40

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
SCHEMBL20918792 1.00 JAK1 (0.55) JAK1JAK2JAK3GSK3BMAPK14
SCHEMBL20919114 0.89 JAK2 (0.46) JAK1JAK2JAK3GSK3BMAPK14
SCHEMBL30356176 0.89 JAK2 (0.46) JAK1JAK2JAK3GSK3BMAPK14
SCHEMBL20918093 0.84 JAK1 (0.77) JAK1
SCHEMBL20930670 0.78 JAK1 (0.51) JAK1
SCHEMBL30356056 0.78 JAK1 (0.71) JAK1
SCHEMBL20918015 0.78 JAK1 (0.71) JAK1
SCHEMBL20918453 0.75 JAK1 (0.48) JAK1JAK2JAK3
SCHEMBL20918455 0.75 JAK1 (0.56) JAK1JAK2JAK3
SCHEMBL20917871 0.75 JAK1 (0.60) 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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