SCHEMBL23041699

SCHEMBL23041699

C[C@H](NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)N[C@H](C)C4CC4)o3)c2)[nH]n1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 2/20 0.38
▸ MME P08473 8/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ ALPP P05187 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ MAPT P10636 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
SCHEMBL29707865 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL23041527 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL23041519 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL29707801 1.00 PRKD1 (0.38) PRKD1MMEMMP13SMYD3ALPP
SCHEMBL29452642 0.94 PRKD1 (0.37) PRKD1MMESMYD3ALPPJAK2
SCHEMBL28724388 0.94 PRKD1 (0.37) PRKD1MMESMYD3ALPPJAK2
SCHEMBL28724377 0.94 PRKD1 (0.37) PRKD1MMESMYD3ALPPJAK2
SCHEMBL23041512 0.94 PRKD1 (0.38) PRKD1MMESMYD3
SCHEMBL23041556 0.94 PRKD1 (0.38) PRKD1MMESMYD3
SCHEMBL23041552 0.94 PRKD1 (0.38) PRKD1MMESMYD3

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 disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN 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
US-9505780-B2 Thienopyranones as kinase and epigenetic inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2016-11-29 — — US disclosed
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