SCHEMBL18544262

SCHEMBL18544262

COc1cnc2ccc(F)c(I)c2n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
CSF1R P07333 3/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAP4K4 O95819 3/20 0.34
ERN1 O75460 1/20 0.33
PIK3CA P42336 1/20 0.33
KCNH2 Q12809 1/20 0.33
KIT P10721 1/20 0.32

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
SCHEMBL18544272 0.87 KCNH2 (0.39) MAP4K4KCNH2
SCHEMBL2821252 0.83 PDGFRB (0.36) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL3346945 0.82 ERN1 (0.44) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL3345811 0.82 KCNH2 (0.36) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL18544269 0.81 CSF1R (0.36) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL18544276 0.80 PDGFRB (0.36) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL22996915 0.80 KCNH2 (0.37) PDGFRBPDGFRACSF1RKCNH2
SCHEMBL20687532 0.80 PDGFRB (0.34) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL14993933 0.78 CSF1R (0.33) PDGFRBPDGFRACSF1RNPC1HTT
SCHEMBL2169114 0.78 ERN1 (0.41) PDGFRBPDGFRACSF1RNPC1HTT

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-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 WO disclosed