SCHEMBL1836737

SCHEMBL1836737

CC(Nc1ccc(Nc2ncc(C(N)=O)c(NCC(F)(F)F)n2)cc1)C(C)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.61
MAPK8 P45983 5/20 0.50
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
JAK3 P52333 3/20 0.48
STAT6 P42226 2/20 0.46
ZAP70 P43403 1/20 0.45

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
SCHEMBL736746 0.88 SYK (0.61) SYKMAPK8JAK2JAK1JAK3
SCHEMBL736747 0.88 SYK (0.61) SYKMAPK8JAK2JAK1JAK3
SCHEMBL735005 0.87 SYK (0.61) SYK
SCHEMBL735006 0.87 SYK (0.61) SYK
SCHEMBL1839202 0.87 SYK (0.59) SYKMAPK8JAK2JAK1JAK3
SCHEMBL20354265 0.86 SYK (0.58) SYKMAPK8JAK2JAK1JAK3
SCHEMBL735474 0.83 SYK (0.66) SYKMAPK8JAK2JAK1JAK3
SCHEMBL736801 0.82 SYK (0.65) SYKMAPK8JAK3STAT6
SCHEMBL14862745 0.80 SYK (0.66) SYKMAPK8JAK2JAK1JAK3
SCHEMBL14862571 0.77 SYK (0.50) SYKMAPK8

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-2321283-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS Portola Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
WO-2009145856-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed