SCHEMBL8530953

SCHEMBL8530953

CNCc1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
SCN9A Q15858 13/20 0.41
SCN7A Q01118 8/20 0.41
KCNH2 Q12809 7/20 0.41
SCN10A Q9Y5Y9 3/20 0.40
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL8543252 0.89 JAK2 (0.45) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8520632 0.89 JAK2 (0.45) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8531405 0.88 JAK2 (0.45) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8543478 0.85 SCN9A (0.43) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8575105 0.84 SCN9A (0.43) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL8545046 0.84 SCN9A (0.43) SCN9ASCN7AKCNH2SCN10ASCN5A
SCHEMBL8521242 0.84 SCN9A (0.38) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8541776 0.81 JAK2 (0.43) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8530882 0.81 JAK2 (0.43) JAK2SCN9ASCN7AKCNH2SCN10A
SCHEMBL8531540 0.79 SCN9A (0.42) SCN9ASCN7AKCNH2SCN10ASCN5A

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-2012068450-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2012-05-24 WO disclosed