SCHEMBL1379080

SCHEMBL1379080

NCCNS(=O)(=O)c1cc(NC(=O)c2cnn3ccc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.41
GSK3A P49840 2/20 0.38
IRAK4 Q9NWZ3 8/20 0.38
TYK2 P29597 2/20 0.36
JAK2 O60674 5/20 0.36
CYP1A2 P05177 3/20 0.36
MAPT P10636 2/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
CYP3A4 P08684 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
SCHEMBL1938664 0.87 KDM4E (0.46) P2RY14MAPT
SCHEMBL1379237 0.86 TP53 (0.48) CYP1A2MAPTCYP3A4
SCHEMBL1938037 0.81 KDM4E (0.47) MAPT
SCHEMBL1380793 0.79 TP53 (0.49) CYP1A2MAPTCYP3A4
SCHEMBL1380841 0.78 KDM4E (0.46) MAPT
SCHEMBL1380634 0.77 TP53 (0.48) CYP1A2MAPTCYP3A4
SCHEMBL1939381 0.77 P2RY14 (0.39) P2RY14CYP1A2MAPTCYP3A4
SCHEMBL1939190 0.77 P2RY14 (0.39) P2RY14CYP1A2MAPTCYP3A4
SCHEMBL1381243 0.75 KDM4E (0.49) MAPT
SCHEMBL1940646 0.75 THRB (0.47) MAPT

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
JP-4708438-B2 2011-06-22 JP claimed