SCHEMBL18409283

SCHEMBL18409283

CCc1cc(CNC(=O)C(F)F)c(F)cc1N(C)c1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2OC)C(=O)C2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
LMNA P02545 2/20 0.32
PPARG P37231 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL18409282 0.89 JAK2 (0.35) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18409102 0.88 LMNA (0.33) JAK2JAK1TYK2JAK3LMNA
SCHEMBL18409346 0.86 JAK2 (0.35) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18409281 0.86 JAK2 (0.39) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18398428 0.84 MAPT (0.36) LMNAPPARGALDH1A1TSHRMAPT
SCHEMBL18409326 0.84 JAK2 (0.41) JAK2JAK1TYK2JAK3PPARG
SCHEMBL18409290 0.81 MEN1 (0.32) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18409289 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18409109 0.81 JAK2 (0.39) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL18409294 0.81 LMNA (0.33) JAK2JAK1TYK2JAK3LMNA

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-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 WO disclosed