SCHEMBL1027672

SCHEMBL1027672

O=C(Nc1ccc(Cl)cn1)C1CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.61
KCNH2 Q12809 1/20 0.53
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44

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
SCHEMBL12955997 1.00 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL8262273 1.00 F10 (0.61) F10KCNH2JAK2JAK1TYK2
SCHEMBL1030634 0.96 F10 (0.58) F10KCNH2JAK2JAK1TYK2
SCHEMBL1029306 0.85 F10 (0.52) F10KCNH2JAK2JAK1TYK2
SCHEMBL8261113 0.85 F10 (0.52) F10KCNH2JAK2JAK1TYK2
SCHEMBL4709195 0.84 F10 (0.56) F10JAK2JAK1TYK2JAK3
SCHEMBL1029183 0.82 F10 (0.57) F10
SCHEMBL8241630 0.82 F10 (0.56) F10KCNH2JAK2JAK1TYK2
SCHEMBL8261185 0.81 F10 (0.61) F10
SCHEMBL4599427 0.80 F10 (0.49) F10KCNH2JAK2JAK1TYK2

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
EP-1814855-B1 DICARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed