SCHEMBL7846512

SCHEMBL7846512

Cc1ccnc(N2CCC(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.47
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PDE10A Q9Y233 1/20 0.41
SUV39H2 Q9H5I1 5/20 0.41
ITGB2 P05107 3/20 0.40
ICAM1 P05362 3/20 0.40
ITGAL P20701 3/20 0.40
MAP4K4 O95819 2/20 0.40
BTK Q06187 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
JAK3 P52333 1/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL7847483 0.88 SYK (0.46) SYKCKS1BSKP1SKP2PDE10A
SCHEMBL7239787 0.86 SYK (0.56) SYKCKS1BSKP1SKP2PDE10A
SCHEMBL7239864 0.82 SYK (0.41) SYKCKS1BSKP1SKP2
SCHEMBL7239861 0.78 GPBAR1 (0.40) SYKCKS1BSKP1SKP2
SCHEMBL7239866 0.78 GPBAR1 (0.40) SYKCKS1BSKP1SKP2
SCHEMBL4278748 0.77 GPBAR1 (0.47) SYKITGB2ICAM1ITGALCCNC
SCHEMBL29849700 0.76 SUV39H2 (0.52) SYKCKS1BSKP1SKP2PDE10A
SCHEMBL1351789 0.74 SYK (0.64) SYKCKS1BSKP1SKP2PDE10A
SCHEMBL1351791 0.74 SYK (0.64) SYKCKS1BSKP1SKP2PDE10A
SCHEMBL20051576 0.73 USP30 (0.58) SYKCKS1BSKP1SKP2PDE10A

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-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed