SCHEMBL18833262

SCHEMBL18833262

CCN(CC)C(=O)CNc1c[nH]nc1-c1nc2cc(F)c(OCCCN(C)C)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
ITK Q08881 1/20 0.44
CHEK2 O96017 2/20 0.37
HRH4 Q9H3N8 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ROCK2 O75116 1/20 0.31
HSP90AB1 P08238 1/20 0.30
ILK Q13418 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KDR P35968 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL4121801 0.88 SYK (0.53) SYKITKCHEK2HRH4KDM4E
SCHEMBL4122016 0.84 SYK (0.47) SYKITKCHEK2HRH4ATM
Trifluoroacetic Acid SCHEMBL4134146 0.84 SYK (0.49) SYKITKCHEK2HRH4KDM4E
SCHEMBL4121774 0.84 SYK (0.41) SYKITKCHEK2HRH4ATM
SCHEMBL18832926 0.83 HRH4 (0.37) SYKITKCHEK2HRH4ROCK2
SCHEMBL4002962 0.82 SYK (0.43) SYKITKCHEK2HRH4ATM
SCHEMBL4126777 0.82 SYK (0.42) SYKITKCHEK2HRH4KDM4E
SCHEMBL4124795 0.81 SYK (0.38) SYKITKCHEK2HRH4KDM4E
SCHEMBL3935250 0.81 SYK (0.38) SYKITKCHEK2HRH4KDM4E
SCHEMBL4126476 0.81 ITK (0.43) SYKITKCHEK2HRH4ATM

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-2041119-B1 PYRAZOLYLBENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA SA (FR) 2017-05-10 EP disclosed