SCHEMBL26394371

SCHEMBL26394371

CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccccc4C#N)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.54
▸ GSK3A P49840 10/20 0.54
▸ DYRK1A Q13627 3/20 0.49
▸ WNT1 P04628 2/20 0.49
▸ ABL1 P00519 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ AAK1 Q2M2I8 4/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ PIM1 P11309 1/20 0.45
▸ CDK2 P24941 1/20 0.45

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
SCHEMBL31243443 0.91 GSK3A (0.46) GSK3BGSK3ADYRK1AWNT1ABL1
SCHEMBL26129273 0.91 GSK3A (0.46) GSK3BGSK3ADYRK1AWNT1ABL1
SCHEMBL26395369 0.89 GSK3B (0.55) GSK3BGSK3ADYRK1AWNT1ABL1
Hydrochloric Acid SCHEMBL26131872 0.88 GSK3B (0.54) GSK3BGSK3ADYRK1AWNT1ABL1
SCHEMBL26394722 0.88 GSK3A (0.63) GSK3BGSK3ADYRK1AWNT1AAK1
SCHEMBL26395355 0.87 GSK3A (0.53) GSK3BGSK3ADYRK1AWNT1AAK1
Hydrochloric Acid SCHEMBL31243420 0.87 GSK3A (0.62) GSK3BGSK3ADYRK1AWNT1AAK1
SCHEMBL26394693 0.87 GSK3B (0.57) GSK3BGSK3ADYRK1AWNT1AAK1
Hydrochloric Acid SCHEMBL26130533 0.87 GSK3A (0.62) GSK3BGSK3ADYRK1AWNT1AAK1
SCHEMBL26394423 0.87 GSK3B (0.57) GSK3BGSK3ADYRK1AWNT1AAK1

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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