SCHEMBL28070992

SCHEMBL28070992

FC(F)(F)c1ccnc(N2CCC2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.73
PKM P14618 2/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 3/20 0.62
RBP4 P02753 1/20 0.58
SLC6A7 Q99884 1/20 0.53
OGA O60502 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HTR2C P28335 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
ALDH1A1 P00352 2/20 0.48
PARP1 P09874 1/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL13286847 0.95 ADRB1 (0.71) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL8354208 0.93 ADRB1 (0.78) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL3556451 0.88 ADRB1 (0.71) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL1999765 0.86 ADRB1 (0.69) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL2005654 0.86 ADRB1 (0.89) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL25809682 0.86 OGA (0.60) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL230177 0.85 ADRB1 (1.00) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL12969642 0.85 ADRB1 (0.68) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL3069202 0.85 PKM (0.77) ADRB1PKMKMT2AKDM4ERBP4
SCHEMBL25803203 0.84 ADRB1 (0.58) ADRB1PKMKMT2AKDM4ERBP4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461842-A FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL 2019-11-15 CN disclosed
CN-107108672-B Condensed five rings imdazole derivatives UCB生物制药私人有限公司 2019-11-08 CN disclosed
CN-105814049-B Fused tricyclic imdazole derivatives as TNF active regulator UCB生物制药私人有限公司 2019-03-12 CN disclosed
CN-109219608-A FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB生物制药私人有限公司 2019-01-15 CN disclosed
CN-109219609-A FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB生物制药私人有限公司 2019-01-15 CN disclosed
CN-109195969-A FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB生物制药私人有限公司 2019-01-11 CN disclosed
CN-109195968-A FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB生物制药私人有限公司 2019-01-11 CN disclosed
CN-105814047-B Fused tricyclic imdazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-10-19 CN disclosed
CN-105814022-B Condensed bicyclic heteroaromatic derivative as TNF active regulators UCB生物制药私人有限公司 2018-09-28 CN disclosed
CN-105814054-B Condensed imidazole and pyrazole derivatives as TNF active regulators UCB生物制药私人有限公司 2018-09-25 CN disclosed
CN-107787319-A Indazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2018-03-09 CN disclosed
CN-107690434-A Fused tricyclic Imidazopyrazines derivative as TNF active regulators UCB生物制药私人有限公司 2018-02-13 CN disclosed
CN-105814061-B Imidazopyridazine derivative as TNF active regulators UCB生物制药私人有限公司 2018-01-26 CN disclosed
CN-107108672-A The five rings imdazole derivatives of fusion UCB生物制药私人有限公司 2017-08-29 CN disclosed
CN-105814047-A Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814049-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814048-A Fused tricyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
CN-105814061-A Imidazopyridazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed