SCHEMBL31243437

SCHEMBL31243437

CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4c(F)ccc(C#N)c4F)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.48
▸ WNT1 P04628 4/20 0.48
▸ GSK3B P49841 10/20 0.47
▸ GSK3A P49840 9/20 0.47
▸ FGFR1 P11362 2/20 0.44
▸ MAP4K1 Q92918 1/20 0.44
▸ FGFR2 P21802 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.42

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
SCHEMBL26129618 1.00 DYRK1A (0.48) DYRK1AWNT1GSK3BGSK3AFGFR1
SCHEMBL26394767 0.86 GSK3B (0.56) DYRK1AWNT1GSK3BGSK3APIM1
Hydrochloric Acid SCHEMBL26130060 0.86 GSK3B (0.55) DYRK1AWNT1GSK3BGSK3APIM1
SCHEMBL26395369 0.85 GSK3B (0.55) DYRK1AWNT1GSK3BGSK3A
Hydrochloric Acid SCHEMBL26131872 0.85 GSK3B (0.54) DYRK1AWNT1GSK3BGSK3A
SCHEMBL26395169 0.85 DYRK1A (0.55) DYRK1AWNT1GSK3BGSK3APIK3CD
SCHEMBL31243456 0.84 GSK3B (0.52) DYRK1AWNT1GSK3BGSK3APIK3CD
SCHEMBL26131806 0.84 GSK3B (0.52) DYRK1AWNT1GSK3BGSK3APIK3CD
SCHEMBL26395355 0.84 GSK3A (0.53) DYRK1AWNT1GSK3BGSK3APIK3CD
Hydrochloric Acid SCHEMBL31243406 0.84 DYRK1A (0.54) DYRK1AWNT1GSK3BGSK3APIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974020-A Substituted 3-aminoindazole derivatives as kinase inhibitors 内尔维亚诺医疗科学公司 2024-11-15 — — CN claimed
CN-118974020-A Substituted 3-aminoindazole derivatives as kinase inhibitors 内尔维亚诺医疗科学公司 2024-11-15 — — CN disclosed
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