SCHEMBL15210993

SCHEMBL15210993

O=C(NCC1CCNCC1)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.64
▸ DYRK1A Q13627 2/20 0.56
▸ KCNH2 Q12809 3/20 0.52
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ GRK2 P25098 1/20 0.50
▸ CLK1 P49759 1/20 0.50

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 SCHEMBL15210481 0.99 GSK3B (0.63) GSK3BDYRK1AKCNH2CCNA2CDK2
SCHEMBL23002843 0.88 GSK3B (0.66) GSK3BKCNH2CCNA2CDK2GRK2
SCHEMBL18934474 0.87 GSK3B (0.57) GSK3BDYRK1AKCNH2CCNA2CDK2
SCHEMBL15210880 0.84 GSK3B (0.78) GSK3BDYRK1ACDK2
SCHEMBL21550267 0.84 GSK3B (0.66) GSK3BKCNH2CCNA2CDK2GRK2
SCHEMBL6950333 0.83 HTR4 (0.56) GSK3BDYRK1AKCNH2CCNA2CDK2
SCHEMBL15210722 0.83 GSK3B (0.77) GSK3B
Hydrochloric Acid SCHEMBL15210531 0.83 GSK3B (0.76) GSK3BDYRK1ACDK2
SCHEMBL23002847 0.83 GSK3B (0.62) GSK3BDYRK1AKCNH2
SCHEMBL16505614 0.81 GSK3B (0.69) GSK3BDYRK1A

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
EP-2817301-A1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2014-12-31 — — EP disclosed
WO-2013124169-A1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-29 — — WO disclosed
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