SCHEMBL12614409

SCHEMBL12614409

Brc1cnc2ccc(NC3CCC(N4CCOCC4)CC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.51
MKNK1 Q9BUB5 2/20 0.51
PIM1 P11309 4/20 0.47
IRAK4 Q9NWZ3 6/20 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
SCHEMBL12614408 1.00 FYN (0.51) FYNMKNK1PIM1IRAK4
SCHEMBL12614204 0.90 MKNK1 (0.47) FYNMKNK1PIM1
SCHEMBL12614202 0.90 MKNK1 (0.47) FYNMKNK1PIM1
SCHEMBL1049252 0.87 FYN (0.65) FYNMKNK1PIM1
SCHEMBL12614542 0.79 FYN (0.64) FYNMKNK1PIM1
SCHEMBL1054446 0.79 PIM1 (0.60) FYNMKNK1PIM1IRAK4
SCHEMBL12350844 0.79 PIM1 (0.58) FYNMKNK1PIM1
SCHEMBL12351084 0.79 PIM1 (0.58) FYNMKNK1PIM1
SCHEMBL2359110 0.79 PIM1 (0.58) FYNMKNK1PIM1
SCHEMBL16009992 0.79 PIM1 (0.60) FYNMKNK1PIM1IRAK4

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
WO-2012127212-A1 IMIDAZO [1, 2 - B] PYRIDAZINE DERIVATIVES AS CDPK1 INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-09-27 WO disclosed
WO-2012127212-A1 IMIDAZO [1, 2 - B] PYRIDAZINE DERIVATIVES AS CDPK1 INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-09-27 WO disclosed