SCHEMBL12810243

SCHEMBL12810243

CCn1c(-c2ccc(C(N)=O)cc2)nnc1C(C)(C)Oc1ccc(I)cc1F

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
ACSS2 Q9NR19 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
AR P10275 1/20 0.33
TMPRSS15 P98073 1/20 0.33

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
SCHEMBL7981467 0.90 RORC (0.43) RORCACSS2MAPK14
SCHEMBL7982045 0.89 ALPG (0.39)
SCHEMBL7981478 0.83 ACSS2 (0.38) RORCACSS2MAPK14
SCHEMBL7988236 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3ACSS2
SCHEMBL7982928 0.82 MAPK14 (0.39) JAK2JAK1TYK2JAK3ACSS2
SCHEMBL7985159 0.81 MKNK1 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL1417571 0.81 ALPG (0.38) JAK2JAK1TYK2JAK3
SCHEMBL7978345 0.80 ACSS2 (0.41) ACSS2KMT2AMAPK14
SCHEMBL1417622 0.79 RORC (0.42) RORCACSS2MAPK14
SCHEMBL7992166 0.78 HSD11B1 (0.37) RORCACSS2KMT2A

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
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 EP disclosed