SCHEMBL4789783

SCHEMBL4789783

Cc1ccc(Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1NCCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
RAF1 P04049 2/20 0.45
LCK P06239 7/20 0.44
BTK Q06187 2/20 0.44
BMX P51813 3/20 0.44
SYK P43405 2/20 0.44
CSF1R P07333 1/20 0.43
KIT P10721 1/20 0.43
SRC P12931 3/20 0.42
MAPK14 Q16539 2/20 0.42
PIKFYVE Q9Y2I7 1/20 0.42
ABL1 P00519 1/20 0.42
DDR1 Q08345 1/20 0.42
DDR2 Q16832 1/20 0.42
KDR P35968 4/20 0.42
INSR P06213 2/20 0.42
LYN P07948 2/20 0.42
HCK P08631 2/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4789218 0.95 SYK (0.49) RXFP1RAF1LCKBTKBMX
SCHEMBL4788649 0.92 BMX (0.47) RXFP1RAF1LCKBTKBMX
SCHEMBL4789699 0.92 RAF1 (0.47) RXFP1RAF1LCKBTKBMX
SCHEMBL4787603 0.92 RAF1 (0.47) RXFP1RAF1LCKBTKBMX
SCHEMBL4789784 0.91 CSF1R (0.53) RAF1LCKBTKBMXCSF1R
SCHEMBL4789266 0.91 SYK (0.48) RAF1LCKBTKBMXSYK
SCHEMBL4790218 0.89 BMX (0.49) RXFP1RAF1LCKBTKBMX
SCHEMBL4789221 0.87 CSF1R (0.55) RAF1LCKBTKBMXCSF1R
SCHEMBL4788889 0.86 BMX (0.53) RXFP1RAF1LCKBTKBMX
SCHEMBL4787775 0.86 RXFP1 (0.51) RXFP1RAF1LCKBTKBMX

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-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed