SCHEMBL28105992

SCHEMBL28105992

Cc1ccnc(N2CCNCC2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
PMM2 O15305 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
MPI P34949 1/20 0.38
KMT2A Q03164 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6767507 0.79 ALDH1A1 (0.48) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL18502949 0.77 SLC6A2 (0.46) MAPK1MAP4K1PIM1
SCHEMBL20038317 0.75 RECQL (0.37) MAP4K1PIM1ALOX5ADRB1TLR8
SCHEMBL5797268 0.74 ADRB1 (0.59) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL31518606 0.74 ADRB1 (0.59) KDM4EHSD17B10ALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL7868157 0.73 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDSORD
Hydrochloric Acid SCHEMBL5375047 0.73 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDSORD
SCHEMBL29991218 0.73 HRH3 (0.36) MAP4K1PIM1TLR8TLR7HRH3
SCHEMBL255543 0.72 SLC6A2 (0.43) MAP4K1PIM1ADRB1
SCHEMBL9199798 0.71 SLC6A2 (0.36) KDM4EALDH1A1MAP4K1PIM1TLR8

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
CN-104470924-B Imidazopyrazines derivant as TNF active regulator UCB生物制药私人有限公司 2016-11-09 CN disclosed