SCHEMBL2359110

SCHEMBL2359110

NC1CCC(Nc2ccc3ncc(Br)n3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.58
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
FLT3 P36888 1/20 0.48
FYN P06241 3/20 0.48
MKNK1 Q9BUB5 3/20 0.48
KCNH2 Q12809 2/20 0.46
MALT1 Q9UDY8 2/20 0.46

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
SCHEMBL12350844 1.00 PIM1 (0.58) PIM1CCNE1CDK2FLT3FYN
SCHEMBL12351084 1.00 PIM1 (0.58) PIM1CCNE1CDK2FLT3FYN
SCHEMBL16009992 0.86 PIM1 (0.60) PIM1CDK2FLT3FYNMKNK1
SCHEMBL1054446 0.86 PIM1 (0.60) PIM1CDK2FLT3FYNMKNK1
SCHEMBL1051076 0.86 MKNK1 (0.63) PIM1FYNMKNK1KCNH2MALT1
SCHEMBL1049252 0.84 FYN (0.65) PIM1FYNMKNK1KCNH2MALT1
SCHEMBL12351207 0.84 MKNK1 (0.48) PIM1FLT3FYNMKNK1KCNH2
SCHEMBL29926159 0.83 MKNK1 (0.46) PIM1FYNMKNK1KCNH2MALT1
SCHEMBL3204659 0.83 PIM1 (0.62) PIM1FYNMKNK1KCNH2MALT1
SCHEMBL2355377 0.83 FYN (0.47) PIM1FYNMKNK1KCNH2MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed