SCHEMBL4555403

SCHEMBL4555403

Cc1ccc(-c2c(C(N)=O)cccc2C(F)(F)F)cc1-c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
SCN9A Q15858 8/20 0.40
PARP1 P09874 1/20 0.40
PDK2 Q15119 1/20 0.40
CYP3A4 P08684 1/20 0.37
CD38 P28907 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
BTK Q06187 1/20 0.37
P2RX7 Q99572 1/20 0.37
PTGS1 P23219 1/20 0.36
FABP4 P15090 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
MYC P01106 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL21624451 0.80 SCN9A (0.44) SCN9APARP1PDK2CYP3A4CD38
SCHEMBL29561873 0.80 SCN9A (0.44) SCN9APARP1PDK2CYP3A4CD38
SCHEMBL31620858 0.77 LCK (0.62)
SCHEMBL30241242 0.76 FABP4 (0.45) SCN9APARP1PDK2CYP3A4CD38
SCHEMBL4776516 0.76 PARP1 (0.52) SCN9APARP1PDK2KEAP1NFE2L2
SCHEMBL6173681 0.76 PARP1 (0.52) SCN9APARP1PDK2CYP3A4CD38
SCHEMBL2329707 0.76 ALDH1A1 (0.46) SCN9ACYP3A4FABP4
SCHEMBL4555401 0.75 FABP4 (0.46) SCN9APARP1PDK2CYP3A4CD38
SCHEMBL17594708 0.75 SCN9A (0.43) SCN9APARP1PDK2P2RX7AR
SCHEMBL23648815 0.75 LCK (0.49) SCN9APARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121692-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2009-11-25 EP disclosed
WO-2008079965-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-07-03 WO disclosed