SCHEMBL29452334

SCHEMBL29452334

CCC(CC)NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)N[C@@H](C)C4CC4)n(CC(O)CO)n3)c2)o1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.37
▸ DYRK1A Q13627 6/20 0.34
▸ DYRK2 Q92630 6/20 0.34
▸ DYRK1B Q9Y463 6/20 0.34
▸ DYRK3 O43781 5/20 0.34
▸ MMEL1 Q495T6 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ PHGDH O43175 2/20 0.33
▸ KCNK3 O14649 3/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL23041518 1.00 MME (0.37) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041517 1.00 MME (0.37) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041404 0.93 MME (0.38) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL29452268 0.93 MME (0.38) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041405 0.93 MME (0.38) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041394 0.90 MME (0.36) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041393 0.90 MME (0.36) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041980 0.90 MME (0.36) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL23041981 0.90 MME (0.36) MMEDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL29452356 0.90 MME (0.36) MMEDYRK1ADYRK2DYRK1BDYRK3

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
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 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
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
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