SCHEMBL28062885

SCHEMBL28062885

Cn1c(C(F)(F)F)c(C(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
OXER1 Q8TDS5 13/20 0.46
GFER P55789 1/20 0.41
DYRK3 O43781 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
DYRK1A Q13627 1/20 0.40
NTRK3 Q16288 1/20 0.40
PIM3 Q86V86 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
BAZ2B Q9UIF8 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
SCHEMBL28062767 0.89 EGFR (0.44) EGFROXER1GFERBAZ2B
SCHEMBL28062862 0.89 ENPP2 (0.43) OXER1
SCHEMBL28062874 0.80 ALOX5 (0.43) PIM1
SCHEMBL7490158 0.79 EGFR (0.58) EGFR
SCHEMBL29364893 0.75 OXER1 (0.58) EGFROXER1
SCHEMBL18357899 0.75 OXER1 (0.58) EGFROXER1
SCHEMBL8899162 0.72 CYP11B1 (0.40) EGFROXER1DYRK3PIM1MAPK8
SCHEMBL11372872 0.72 GSK3B (0.57) EGFR
SCHEMBL14848284 0.72 EGFR (0.47) EGFROXER1GFER
SCHEMBL5241382 0.72 EGFR (0.48) EGFRDYRK1A

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
CN-105646327-A 2-perfluoroalkyl indole derivative and synthesis method thereof 上海大学 2016-06-08 CN disclosed