SCHEMBL3719746

SCHEMBL3719746

OC1CCC(Nc2ccc3nnc(Cl)n3n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 10/20 0.67
KCNH2 Q12809 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
PIM1 P11309 8/20 0.55
JAK2 O60674 1/20 0.55
CDK2 P24941 1/20 0.55
FLT3 P36888 1/20 0.55
GSK3B P49841 1/20 0.55
JAK3 P52333 1/20 0.55
PRKCQ Q04759 1/20 0.55
IRAK4 Q9NWZ3 1/20 0.55
MKNK1 Q9BUB5 1/20 0.47

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
SCHEMBL3719743 1.00 MALT1 (0.67) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL3727537 0.93 MALT1 (0.76) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL2763440 0.86 MALT1 (0.67) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL612448 0.83 MALT1 (0.64) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL24441136 0.76 MALT1 (1.00) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL24441137 0.76 MALT1 (1.00) MALT1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL12368893 0.75 MET (0.50) MALT1KCNH2PIM1JAK2CDK2
SCHEMBL2945956 0.75 PIM1 (0.76) KCNH2PIM1MKNK1
SCHEMBL3037771 0.74 PIM1 (0.60) MALT1KCNH2PIM1JAK2CDK2
SCHEMBL3033386 0.74 PIM1 (0.60) MALT1KCNH2PIM1JAK2CDK2

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-2393790-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089506-A1 DERIVATIVES OF 6-(6-O-CYCLOALKYL OR 6-NH-CYCLOALKYL-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed