SCHEMBL5138

SCHEMBL5138

CCN(C(=O)O)c1cc2c(F)cc(F)cc2nc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
TSPO P30536 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 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
SCHEMBL845050 0.81 MAPT (0.37) MAPTKDM4ETP53
SCHEMBL1728322 0.75 ALDH1A1 (0.35) MAPTTSPOKDM4ENPSR1TP53
SCHEMBL27883300 0.73 KDM4E (0.33) MAPTKDM4ENPSR1
SCHEMBL5139 0.67 CNR1 (0.39) KDM4ENPSR1
SCHEMBL8613 0.66 TP53 (0.43) MAPTTSPOKDM4ENPSR1TP53
SCHEMBL5526 0.64 ALDH1A1 (0.55) MAPTKDM4E
SCHEMBL17078095 0.62 TSHR (0.48) MAPTKDM4ETP53
SCHEMBL6306623 0.61 SMN1; SMN2 (0.47) KDM4ETP53
SCHEMBL20521552 0.61 JAK2 (0.33)
SCHEMBL2553564 0.60 PTK2 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
WO-2011058109-A1 FUSED BICYCLIC PYRROLE AND IMIDAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed