SCHEMBL4789581

SCHEMBL4789581

Cc1ccc(Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.49
KDR P35968 3/20 0.49
MAPK14 Q16539 4/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAF1 P04049 1/20 0.43
BMX P51813 3/20 0.43
TRPV4 Q9HBA0 1/20 0.42
CSF1R P07333 3/20 0.42
KIT P10721 3/20 0.42
SRC P12931 3/20 0.41
PIKFYVE Q9Y2I7 1/20 0.41
ABL1 P00519 1/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
BTK Q06187 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TYK2 P29597 1/20 0.40
SYK P43405 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL4789176 0.99 LCK (0.50) LCKKDRMAPK14RXFP1RAF1
SCHEMBL4789243 0.94 LCK (0.49) LCKKDRMAPK14RAF1BMX
SCHEMBL4789238 0.93 LCK (0.58) LCKKDRMAPK14RXFP1TRPV4
SCHEMBL4789582 0.92 LCK (0.57) LCKKDRMAPK14RAF1BMX
SCHEMBL4789178 0.91 LCK (0.58) LCKKDRMAPK14RAF1BMX
SCHEMBL4787603 0.88 RAF1 (0.47) LCKKDRMAPK14RXFP1RAF1
SCHEMBL4788649 0.87 BMX (0.47) LCKKDRMAPK14RXFP1RAF1
SCHEMBL4790218 0.87 BMX (0.49) LCKKDRMAPK14RXFP1RAF1
SCHEMBL4789266 0.86 SYK (0.48) LCKKDRMAPK14RAF1BMX
SCHEMBL4789218 0.86 SYK (0.49) LCKKDRMAPK14RXFP1RAF1

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