SCHEMBL10285709

SCHEMBL10285709

Cc1ccc(Nc2cc(NCc3c(F)cccc3F)c(C(N)=O)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.59
JAK1 P23458 8/20 0.59
IRAK4 Q9NWZ3 7/20 0.59
JAK2 O60674 7/20 0.59
TYK2 P29597 4/20 0.59
CSF1R P07333 1/20 0.51
BTK Q06187 1/20 0.51
CD38 P28907 1/20 0.50
STAT6 P42226 1/20 0.47
ZAP70 P43403 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL2694880 0.89 JAK3 (0.56) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL2696695 0.87 JAK3 (0.58) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL12321946 0.87 JAK3 (0.62) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL12321939 0.86 JAK3 (0.55) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL2692726 0.85 JAK3 (0.53) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL17322970 0.85 JAK3 (0.52) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL12322720 0.84 STAT6 (0.60) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL12301505 0.84 JAK3 (0.64) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL12321969 0.84 JAK3 (0.51) JAK3JAK1IRAK4JAK2TYK2
SCHEMBL12322726 0.84 STAT6 (0.58) JAK3JAK1IRAK4JAK2TYK2

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-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed