SCHEMBL6646290

SCHEMBL6646290

CC(C)(C)n1nc(-c2ccc([AsH2])cc2)c(C(N)=O)c1N

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.67
SRC P12931 6/20 0.65
LCK P06239 1/20 0.59
KDR P35968 1/20 0.59
TGFBR1 P36897 1/20 0.59
KCNH2 Q12809 3/20 0.56

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
SCHEMBL4261283 0.89 RIPK2 (0.70) RIPK2SRCLCKKDRTGFBR1
SCHEMBL5618684 0.87 RIPK2 (0.68) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8357880 0.87 RIPK2 (0.72) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8356091 0.86 RIPK2 (0.74) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8308306 0.86 RIPK2 (0.74) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8362338 0.84 RIPK2 (0.64) RIPK2SRCLCKKDRTGFBR1
SCHEMBL24410875 0.82 RIPK2 (0.61) RIPK2SRCLCKKDRTGFBR1
SCHEMBL4257226 0.82 RIPK2 (0.61) RIPK2SRCLCKKDRTGFBR1
SCHEMBL8361716 0.82 SRC (0.63) RIPK2SRCLCKKDRTGFBR1
SCHEMBL16247045 0.79 RIPK2 (1.00) RIPK2SRCLCKKDRTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1436265-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP disclosed
WO-2003072541-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 WO disclosed