SCHEMBL4789266

SCHEMBL4789266

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
RAF1 P04049 3/20 0.48
KIT P10721 2/20 0.46
CSF1R P07333 1/20 0.46
BMX P51813 3/20 0.45
MAPK14 Q16539 2/20 0.45
SRC P12931 2/20 0.45
ABL1 P00519 1/20 0.45
DDR1 Q08345 1/20 0.45
DDR2 Q16832 1/20 0.45
KDR P35968 5/20 0.44
LCK P06239 4/20 0.44
PDGFRB P09619 1/20 0.43
BRAF P15056 1/20 0.43
PDGFRA P16234 1/20 0.43
RET P07949 1/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
BTK Q06187 2/20 0.43
MPO P05164 1/20 0.42
INSR P06213 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
SCHEMBL4788649 0.93 BMX (0.47) RAF1KITCSF1RBMXMAPK14
SCHEMBL4787603 0.92 RAF1 (0.47) RAF1KITCSF1RBMXMAPK14
SCHEMBL4789783 0.91 RXFP1 (0.46) SYKRAF1KITCSF1RBMX
SCHEMBL4789271 0.91 CSF1R (0.57) RAF1KITCSF1RBMXMAPK14
SCHEMBL4790218 0.90 BMX (0.49) RAF1KITCSF1RBMXMAPK14
SCHEMBL4789218 0.89 SYK (0.49) SYKRAF1KITCSF1RBMX
SCHEMBL4789699 0.88 RAF1 (0.47) RAF1KITCSF1RBMXMAPK14
SCHEMBL4788889 0.87 BMX (0.53) RAF1KITCSF1RBMXMAPK14
SCHEMBL4787775 0.87 RXFP1 (0.51) RAF1KITCSF1RBMXMAPK14
SCHEMBL4789176 0.87 LCK (0.50) SYKRAF1KITCSF1RBMX

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