SCHEMBL2355377

SCHEMBL2355377

CN1CCC(Nc2ccc3ncc(Br)n3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.47
MKNK1 Q9BUB5 2/20 0.47
PIM1 P11309 9/20 0.47
KCNH2 Q12809 3/20 0.45
MALT1 Q9UDY8 1/20 0.42

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
SCHEMBL12351174 0.86 MKNK1 (0.47) FYNMKNK1PIM1KCNH2
SCHEMBL1051076 0.85 MKNK1 (0.63) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL12350844 0.83 PIM1 (0.58) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL12351207 0.83 MKNK1 (0.48) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL16009992 0.83 PIM1 (0.60) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL1054446 0.83 PIM1 (0.60) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL2359110 0.83 PIM1 (0.58) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL1049252 0.83 FYN (0.65) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL12351084 0.83 PIM1 (0.58) FYNMKNK1PIM1KCNH2MALT1
SCHEMBL12614350 0.83 FYN (0.47) FYNMKNK1PIM1KCNH2

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
WO-2012127212-A1 IMIDAZO [1, 2 - B] PYRIDAZINE DERIVATIVES AS CDPK1 INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-09-27 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed