SCHEMBL8545011

SCHEMBL8545011

CN(C)Cc1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
SCN9A Q15858 13/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
SCN7A Q01118 7/20 0.42
KCNH2 Q12809 7/20 0.42
QRFPR Q96P65 1/20 0.38
LSS P48449 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
PKM P14618 1/20 0.37
KHK P50053 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL8525582 0.85 SCN9A (0.45) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL8576686 0.84 SCN9A (0.45) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL8531540 0.84 SCN9A (0.42) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL8521244 0.77 SCN9A (0.49) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL2393767 0.77 FABP4 (0.39) LSSLOXL2
SCHEMBL8525941 0.72 SCN5A (0.43) SCN9ALSSSCN5APKM
SCHEMBL8532594 0.70 SCN9A (0.44) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL8532735 0.69 KDM4E (0.48) LSSPKM
SCHEMBL8531218 0.69 SCN9A (0.46) SCN9ASCN10ASCN7AKCNH2SCN5A
SCHEMBL8543478 0.68 SCN9A (0.43) JAK2SCN9ASCN10ASCN7AKCNH2

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