SCHEMBL26394474

SCHEMBL26394474

CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4cccc(C#N)c4)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.55
▸ GSK3A P49840 7/20 0.55
▸ AAK1 Q2M2I8 8/20 0.51
▸ DYRK1A Q13627 3/20 0.49
▸ GAK O14976 1/20 0.48
▸ STK16 O75716 1/20 0.48
▸ BMP2K Q9NSY1 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
Hydrochloric Acid SCHEMBL26132787 0.99 GSK3B (0.55) GSK3BGSK3AAAK1DYRK1AGAK
Hydrochloric Acid SCHEMBL31243428 0.99 GSK3B (0.55) GSK3BGSK3AAAK1DYRK1AGAK
SCHEMBL26394863 0.91 GSK3B (0.53) GSK3BGSK3AAAK1DYRK1A
Hydrochloric Acid SCHEMBL26130882 0.90 GSK3B (0.52) GSK3BGSK3AAAK1DYRK1A
SCHEMBL26394920 0.87 GSK3B (0.48) GSK3BGSK3AAAK1DYRK1A
SCHEMBL26394532 0.87 GSK3A (0.68) GSK3BGSK3AAAK1DYRK1A
Hydrochloric Acid SCHEMBL26130611 0.87 GSK3B (0.47) GSK3BGSK3AAAK1DYRK1A
SCHEMBL26395004 0.87 GSK3B (0.47) GSK3BGSK3AAAK1DYRK1A
Hydrochloric Acid SCHEMBL31243411 0.86 GSK3A (0.67) GSK3BGSK3AAAK1DYRK1A
Hydrochloric Acid SCHEMBL26131892 0.86 GSK3A (0.67) GSK3BGSK3AAAK1DYRK1A

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
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
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