SCHEMBL17801060

SCHEMBL17801060

N#Cc1ccc(-c2n[nH]c3ccc(-c4nc5ccccc5[nH]4)cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.60
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
ITK Q08881 1/20 0.54
CHEK1 O14757 1/20 0.52
ATR Q13535 1/20 0.52
LRRK2 Q5S007 1/20 0.48
JAK2 O60674 1/20 0.47
CDK4 P11802 1/20 0.47
CCNA2 P20248 1/20 0.47
JAK1 P23458 1/20 0.47
CCND1 P24385 1/20 0.47
CDK2 P24941 1/20 0.47
TYK2 P29597 1/20 0.47
CCND3 P30281 1/20 0.47
JAK3 P52333 1/20 0.47
CHEK2 O96017 1/20 0.47
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
RHEB Q15382 1/20 0.47

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
SCHEMBL17801048 0.90 PDPK1 (0.62) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL1225637 0.86 PDPK1 (0.67) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL3533024 0.86 PDPK1 (0.73) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL25418501 0.85 PDPK1 (0.71) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL31472525 0.85 PDPK1 (0.71) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL5379078 0.84 KDM4E (0.65) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL3337258 0.82 NPC1 (0.66) ATRCHEK2PKN1PKN2RHEB
SCHEMBL484587 0.80 NPC1 (0.64) ATRCHEK2PKN1PKN2RHEB
SCHEMBL3533531 0.79 FGFR1 (0.66) PDPK1FGFR1FLT1ITKCHEK1
SCHEMBL5951956 0.79 FGFR1 (0.66) PDPK1FGFR1FLT1ITKCHEK1

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