SCHEMBL5686231

SCHEMBL5686231

CC(C)N1CCC(c2ccc(Nc3ncc(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.50
LCK P06239 2/20 0.49
JAK3 P52333 2/20 0.49
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
STAT6 P42226 1/20 0.47
TTK P33981 1/20 0.47
PTK2 Q05397 4/20 0.46
MAP4K1 Q92918 1/20 0.46
JAK2 O60674 3/20 0.45
PARP1 P09874 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
KCNH2 Q12809 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL4494959 0.87 STAT6 (0.59) SYKJAK3STAT6TTKPTK2
SCHEMBL5686069 0.81 SYK (0.53) SYKJAK3KCNH2
SCHEMBL16464804 0.81 SYK (0.78) SYK
SCHEMBL16304063 0.80 KCNH2 (0.54) PARP1HRH3KCNH2
SCHEMBL28833626 0.80 JAK3 (0.57) LCKJAK3EGFRBTKPARP1
SCHEMBL17899154 0.76 PARP1 (0.42) SYKLCKJAK3EGFRBTK
SCHEMBL28324041 0.74 MAP4K1 (0.42) LCKJAK3EGFRBTKPTK2
SCHEMBL19824672 0.74 JAK3 (0.74) LCKJAK3EGFRBTK
SCHEMBL30962842 0.71 WEE1 (0.51) SYKLCKJAK3STAT6TTK
SCHEMBL16466285 0.70 SYK (0.74) SYKJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903970-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2015-08-12 EP disclosed
WO-2014058921-A2 SUBSTITUTED PYRIMIDINYL KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-17 WO disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed