SCHEMBL17801015

SCHEMBL17801015

N#Cc1ccc(-c2n[nH]c3ccc(-c4nc(CN5CCOCC5)n[nH]4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.52
CDK7 P50613 4/20 0.51
CHEK1 O14757 4/20 0.51
JAK2 O60674 1/20 0.47
GRIA1 P42261 2/20 0.42
CAMKK2 Q96RR4 1/20 0.41
CSNK1D P48730 1/20 0.41
DYRK3 O43781 1/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CAMK2G Q13555 1/20 0.40
MARK2 Q7KZI7 1/20 0.40
PIM3 Q86V86 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40
STK17A Q9UEE5 1/20 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
SCHEMBL4084573 0.80 JAK2 (0.45) LRRK2CDK7CHEK1JAK2
SCHEMBL13812167 0.75 FGFR1 (0.48) LRRK2CDK7CHEK1JAK2CSNK1D
SCHEMBL5382081 0.74 LRRK2 (0.59) LRRK2CDK7CHEK1CAMKK2MARK2
SCHEMBL4085294 0.73 CLK2 (0.41) LRRK2CDK7CHEK1JAK2CSNK1D
SCHEMBL17801058 0.73 CSNK1D (0.76) LRRK2CDK7CHEK1CSNK1D
SCHEMBL13876985 0.72 CSNK1D (0.47) CDK7CHEK1JAK2CSNK1DDYRK3
SCHEMBL4169696 0.72 CSNK1D (0.47) CDK7CHEK1JAK2CSNK1DDYRK3
SCHEMBL4084821 0.72 CSNK1D (0.57) JAK2CSNK1DDYRK3GSK3BPIM3
SCHEMBL4085679 0.71 LRRK2 (0.42) LRRK2JAK2CSNK1DDYRK3GSK3B
SCHEMBL17801044 0.70 LRRK2 (0.52) LRRK2

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
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed