SCHEMBL18544261

SCHEMBL18544261

COc1cnc2ccc(F)c(CN)c2n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37
CSF1R P07333 2/20 0.35
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
MAP4K4 O95819 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL22996915 0.87 KCNH2 (0.37) KCNH2CSF1RPDGFRBPDGFRA
SCHEMBL2821504 0.85 KCNH2 (0.37) KCNH2CSF1RPDGFRBPDGFRA
SCHEMBL2931872 0.82 CSF1R (0.40) KCNH2CSF1R
SCHEMBL1712323 0.82 CCNB2 (0.36) KCNH2CSF1R
SCHEMBL2932060 0.81 PTGS2 (0.39) KCNH2
SCHEMBL4214402 0.79 KCNH2 (0.36) KCNH2
SCHEMBL4214405 0.79 KCNH2 (0.36) KCNH2
SCHEMBL2822572 0.79 KCNH2 (0.43) KCNH2
SCHEMBL18544262 0.78 PDGFRB (0.36) KCNH2CSF1RMAP4K4PDGFRBPDGFRA
SCHEMBL2821252 0.78 PDGFRB (0.36) CSF1RMAP4K4PDGFRBPDGFRA

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