SCHEMBL20260877

SCHEMBL20260877

Cc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)ccc1N1CCN(C2COC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.43
JAK2 O60674 9/20 0.43
PTK2 Q05397 1/20 0.43
FGFR3 P22607 2/20 0.40
EGFR P00533 2/20 0.39
CSF1R P07333 2/20 0.39
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FLT3 P36888 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL20260507 0.93 TBK1 (0.38) TBK1JAK2PTK2MAPK8MAPK10
SCHEMBL20242673 0.89 TBK1 (0.42) TBK1JAK2PTK2FGFR3EGFR
SCHEMBL20260500 0.89 TBK1 (0.34) TBK1JAK2PTK2MAPK8MAPK10
SCHEMBL20260873 0.86 MAPT (0.42) JAK2FGFR3MAPK8MAPK10
SCHEMBL20260540 0.86 TBK1 (0.35) TBK1JAK2PTK2FGFR3EGFR
SCHEMBL20260536 0.84 TBK1 (0.40) TBK1JAK2
SCHEMBL20260502 0.84 TBK1 (0.43) TBK1JAK2PTK2MAPK8MAPK10
SCHEMBL18278549 0.83 MAPK8 (0.39) TBK1JAK2MAPK8MAPK10
SCHEMBL18278277 0.83 MAPK8 (0.39) TBK1JAK2MAPK8MAPK10
SCHEMBL18278344 0.83 MAPK8 (0.37) TBK1JAK2MAPK8MAPK10

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-2018106646-A1 AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed