SCHEMBL3722244

SCHEMBL3722244

NC(=O)c1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.61
PDK1 Q15118 3/20 0.61
ULK2 Q8IYT8 3/20 0.61
TBK1 Q9UHD2 7/20 0.59
MARK3 P27448 3/20 0.59
MARK4 Q96L34 3/20 0.59
AURKA O14965 1/20 0.59
JAK3 P52333 3/20 0.59
JAK2 O60674 1/20 0.59
JAK1 P23458 1/20 0.59
STAT6 P42226 6/20 0.56
PDPK1 O15530 3/20 0.56
CDK2 P24941 1/20 0.56
NTRK1 P04629 2/20 0.55
BMPR2 Q13873 2/20 0.55
NUAK1 O60285 2/20 0.55
STK16 O75716 1/20 0.55
CSNK2A2 P19784 1/20 0.55
TYK2 P29597 1/20 0.55
AAK1 Q2M2I8 1/20 0.55

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
SCHEMBL3723031 0.93 JAK3 (0.58) ULK1PDK1ULK2TBK1MARK3
SCHEMBL913548 0.91 STAT6 (0.67) ULK1PDK1ULK2TBK1AURKA
SCHEMBL914035 0.90 STAT6 (0.68) ULK1PDK1ULK2TBK1AURKA
SCHEMBL913657 0.90 STAT6 (0.65) ULK1PDK1ULK2TBK1AURKA
SCHEMBL3716209 0.89 STAT6 (0.57) ULK1PDK1ULK2TBK1MARK3
SCHEMBL13898338 0.88 TBK1 (0.75) ULK1PDK1ULK2TBK1MARK3
SCHEMBL13901553 0.88 ULK1 (0.61) ULK1PDK1ULK2TBK1MARK3
SCHEMBL3718768 0.88 JAK3 (0.55) ULK1PDK1ULK2JAK3JAK2
SCHEMBL3723332 0.87 STAT6 (0.55) ULK1PDK1ULK2JAK3JAK2
SCHEMBL914293 0.87 ULK1 (0.67) ULK1PDK1ULK2TBK1MARK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed