SCHEMBL2333341

SCHEMBL2333341

O=C(Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.53
CDK2 P24941 3/20 0.53
CDK1 P06493 2/20 0.53
GSK3A P49840 4/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL1377235 0.99 GSK3B (0.52) GSK3BCDK2CDK1GSK3ACYP3A4
SCHEMBL2334015 0.84 GSK3B (0.50) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL4381668 0.84 GSK3B (0.60) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL2338792 0.83 GSK3B (0.49) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL4392816 0.80 GSK3B (0.61) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL1461084 0.78 GSK3B (0.66) GSK3BCDK2CDK1
SCHEMBL1461697 0.78 GSK3B (0.82) GSK3BCDK2CDK1GSK3AMAPK1
SCHEMBL2332408 0.76 GSK3B (0.60) GSK3BCDK2CDK1GSK3APOLB
SCHEMBL2337608 0.75 GSK3B (0.49) GSK3BCDK2CDK1GSK3A
SCHEMBL2331113 0.72 GSK3B (0.73) GSK3BCDK2CDK1GSK3AMAPK1

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-1572200-B1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-08-17 EP claimed
EP-1572200-B1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-08-17 EP disclosed