SCHEMBL5777970

SCHEMBL5777970

Cc1c(N2CCC(N(CCC#N)C3CC3)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.40
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SCN5A Q14524 1/20 0.34

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
SCHEMBL5450793 0.91 KCNH2 (0.40) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5777354 0.90 KCNH2 (0.40) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5457752 0.83 KCNH2 (0.47) KCNH2SCN5A
SCHEMBL5452041 0.83 KCNH2 (0.42) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL5472819 0.83 KCNH2 (0.47) KCNH2SCN5A
SCHEMBL5462500 0.82 KCNH2 (0.46) KCNH2JAK2JAK1TYK2JAK3
SCHEMBL14443939 0.82 KCNH2 (0.49) KCNH2SCN5A
SCHEMBL5450712 0.82 KCNH2 (0.49) KCNH2SCN5A
SCHEMBL5459526 0.82 KCNH2 (0.45) KCNH2SCN5A
SCHEMBL5459449 0.81 KCNH2 (0.46) KCNH2JAK2JAK1TYK2JAK3

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-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed