SCHEMBL19159015

SCHEMBL19159015

Cc1nc(Sc2cccc(F)c2F)nc2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.44
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
DHODH Q02127 2/20 0.38
LATS1 O95835 12/20 0.37
F10 P00742 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LATS2 Q9NRM7 8/20 0.33
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL19176153 0.90 DHODH (0.41) CXCR2F7F3DHODHLATS1
SCHEMBL19158259 0.76 LATS1 (0.41) LATS1LATS2
SCHEMBL19158871 0.75 DHFR (0.37) CXCR2F7F3LATS1LATS2
SCHEMBL19159014 0.72 F7 (0.40) CXCR2F7F3DHODHLATS1
SCHEMBL19158957 0.72 CXCR2 (0.44) CXCR2F7F3DHODHLATS1
SCHEMBL19158131 0.66 F7 (0.40) CXCR2F7F3DHODHLATS1
SCHEMBL13335778 0.65 LATS1 (0.42) DHODHLATS1LATS2
SCHEMBL576234 0.64 NOTUM (0.42) CXCR2
SCHEMBL30452252 0.64 NOTUM (0.42) CXCR2
SCHEMBL19158253 0.64 KDM4E (0.37) CXCR2LATS1KDM4EALDH1A1MAPT

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-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed