SCHEMBL23041380

SCHEMBL23041380

CC(NC(=O)c1n[nH]c(-c2cccc(-c3ncc(C(=O)NC(C)C4CC4)o3)c2)n1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MDM2 Q00987 4/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ NTRK1 P04629 1/20 0.33

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
SCHEMBL23041379 1.00 MME (0.36) MMEJAK2JAK1JAK3IDO1
SCHEMBL28938263 0.95 JAK2 (0.36) JAK2JAK1JAK3IDO1MDM2
SCHEMBL28938265 0.95 JAK2 (0.36) JAK2JAK1JAK3IDO1MDM2
SCHEMBL29452801 0.95 JAK2 (0.36) JAK2JAK1JAK3IDO1MDM2
SCHEMBL23041456 0.83 ADORA3 (0.47) MMEJAK2JAK1JAK3ADORA3
SCHEMBL23041468 0.83 MME (0.37) MMEJAK2JAK1JAK3IDO1
SCHEMBL29452725 0.83 MME (0.37) MMEJAK2JAK1JAK3IDO1
SCHEMBL23041470 0.83 MME (0.37) MMEJAK2JAK1JAK3IDO1
SCHEMBL23041425 0.82 MME (0.36) MMEJAK2JAK1JAK3IDO1
SCHEMBL23051959 0.82 MME (0.36) MMEJAK2JAK1JAK3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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