SCHEMBL28652143

SCHEMBL28652143

CC1CCCC(c2nc(Br)cnc2N)C1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MCHR1 Q99705 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL13353984 0.80 TDO2 (0.37) ALOX5APFEN1HRH2HRH3
SCHEMBL24890645 0.80 TDO2 (0.37) ALOX5APFEN1HRH2HRH3
SCHEMBL30987664 0.78 USP7 (0.36) PIM1PIM3PIM2
SCHEMBL17375384 0.78 USP7 (0.36) PIM1PIM3PIM2
SCHEMBL28651824 0.77 PIK3CG (0.41) ALOX5APFEN1
SCHEMBL14926882 0.76 USP7 (0.31)
SCHEMBL24248254 0.70 ATR (0.36) ALOX5APFEN1
SCHEMBL24890965 0.64 ATR (0.48) ALOX5APFEN1HRH2HRH3
SCHEMBL24890808 0.64 ATR (0.48) ALOX5APFEN1HRH2HRH3
SCHEMBL14652767 0.64 NOS3 (0.33) HRH2HRH3MCHR1

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-113527231-A Synthetic method of heterocyclic ring substituted coelenterazine compound 深圳华大生命科学研究院 2021-10-22 CN disclosed