SCHEMBL26395355

SCHEMBL26395355

CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccc(O)c(C#N)c4)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 9/20 0.53
▸ GSK3B P49841 9/20 0.53
▸ AAK1 Q2M2I8 6/20 0.48
▸ PIK3CD O00329 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ JAK1 P23458 1/20 0.47
▸ DYRK1A Q13627 4/20 0.45
▸ WNT1 P04628 2/20 0.44

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 SCHEMBL31243722 0.99 GSK3A (0.52) GSK3AGSK3BAAK1PIK3CDPIM1
Hydrochloric Acid SCHEMBL26125688 0.99 GSK3A (0.52) GSK3AGSK3BAAK1PIK3CDPIM1
SCHEMBL26394863 0.87 GSK3B (0.53) GSK3AGSK3BAAK1PIK3CDPIM1
SCHEMBL26394371 0.87 GSK3B (0.54) GSK3AGSK3BAAK1PIK3CDPIM1
Hydrochloric Acid SCHEMBL26130882 0.87 GSK3B (0.52) GSK3AGSK3BAAK1PIK3CDPIM1
SCHEMBL26394474 0.85 GSK3B (0.55) GSK3AGSK3BAAK1DYRK1A
SCHEMBL26395369 0.85 GSK3B (0.55) GSK3AGSK3BDYRK1AWNT1
Hydrochloric Acid SCHEMBL26132787 0.84 GSK3B (0.55) GSK3AGSK3BAAK1DYRK1A
Hydrochloric Acid SCHEMBL31243428 0.84 GSK3B (0.55) GSK3AGSK3BAAK1DYRK1A
SCHEMBL31243437 0.84 DYRK1A (0.48) GSK3AGSK3BAAK1PIK3CDPIM1

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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