SCHEMBL26396381

SCHEMBL26396381

CNC1CC(C(=O)Nc2n[nH]c3ccc(-c4cc(C#N)ccc4Cl)cc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ PAK4 O96013 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ CSNK1A1 P48729 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CDK7 P50613 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ MELK Q14680 2/20 0.40
▸ HIPK2 Q9H2X6 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ STK17A Q9UEE5 2/20 0.40

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 SCHEMBL26132356 0.99 GSK3B (0.40) GSK3BCDK2PIM1CDC7DAPK3
SCHEMBL26396408 0.91 GSK3B (0.39) GSK3BCDK2PIM1CDC7DAPK3
SCHEMBL26396456 0.91 GSK3B (0.42) GSK3BCDK2PIM1CDC7DAPK3
SCHEMBL26396503 0.90 GSK3B (0.41) GSK3BCDK2PIM1CDC7DAPK3
Hydrochloric Acid SCHEMBL26131685 0.90 GSK3B (0.42) GSK3BCDK2PIM1CDC7DAPK3
Hydrochloric Acid SCHEMBL26132020 0.90 GSK3B (0.38) GSK3BCDK2PIM1CDC7DAPK3
Hydrochloric Acid SCHEMBL26130478 0.90 GSK3B (0.41) GSK3BCDK2PIM1CDC7DAPK3
SCHEMBL26396394 0.90 ULK1 (0.41) GSK3BCDK2PIM1CDC7DAPK3
SCHEMBL26396490 0.89 GSK3B (0.40) GSK3BCDK2PIM1CDC7DAPK3
Hydrochloric Acid SCHEMBL26129886 0.89 ULK1 (0.41) GSK3BCDK2PIM1CDC7DAPK3

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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