SCHEMBL2198202

SCHEMBL2198202

O=CO[C@H]1CCC[C@H]1N1Cc2ccc(-c3ccc(Nc4ccc(Cl)cc4)cc3)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MST1R Q04912 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
CAMK1D Q8IU85 1/20 0.36
MAPK1 P28482 7/20 0.33
IKZF2 Q9UKS7 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL2179471 0.88 SLC2A1 (0.40) CRBN
SCHEMBL2197877 0.84 JAK2 (0.34) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2197850 0.83 JAK2 (0.36) JAK2NTRK1METFGFR1PRKACA
SCHEMBL15764363 0.78 MEN1 (0.41) JAK2
SCHEMBL2197237 0.77 MAPK1 (0.34) MAPK1
SCHEMBL2201498 0.76 AXL (0.36) KDRMAPK1TDP2CRBN
SCHEMBL2196756 0.75 JAK2 (0.38) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2202235 0.75 JAK2 (0.38) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2198728 0.74 JAK2 (0.39) JAK2NTRK1METFGFR1PRKACA
SCHEMBL2197874 0.74 BRD4 (0.38) JAK2NTRK1METFGFR1PRKACA

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-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed