SCHEMBL8525941

SCHEMBL8525941

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.41
LSS P48449 2/20 0.41
TDO2 P48775 1/20 0.40
PARP1 P09874 3/20 0.38
HSP90AA1 P07900 1/20 0.38
BCL9 O00512 2/20 0.38
CTNNB1 P35222 2/20 0.38
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL8532735 0.84 KDM4E (0.48) SIGMAR1HRH3PKMHPGDLSS
SCHEMBL6121739 0.74 ALDH1A1 (0.51) ALDH1A1LMNA
SCHEMBL16389289 0.74 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL19404236 0.73 CTNNB1 (0.53) SIGMAR1BCL9CTNNB1
SCHEMBL8540980 0.73 SIGMAR1 (0.44) SIGMAR1HRH3ALDH1A1
SCHEMBL8577314 0.72 SCN5A (0.49) SCN5ASCN9ASIGMAR1PKMHPGD
SCHEMBL24088883 0.72 GABRD (0.52) SIGMAR1PKMHPGDTDO2
SCHEMBL8545011 0.72 JAK2 (0.43) SCN5ASCN9APKMLSS
SCHEMBL7904715 0.72 HPGD (0.50) HPGDALDH1A1LMNA
SCHEMBL226167 0.70 SIGMAR1 (0.56) SIGMAR1HRH3PKMHPGDTDO2

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