SCHEMBL5626323

SCHEMBL5626323

C1=CN2C[N]N=C2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.33
PTAFR P25105 3/20 0.32
EED O75530 1/20 0.32
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL12783277 0.71 PTAFR (0.48) PTAFREED
SCHEMBL20368824 0.70 CFTR (0.32) CFTRPTAFREEDABCB11ALDH1A1
SCHEMBL7868294 0.69 KDM4E (0.36) CFTRPTAFREEDALDH1A1CYP2D6
SCHEMBL10375401 0.69 CFTR (0.32) CFTRPTAFREED
SCHEMBL10028949 0.69 CFTR (0.32) CFTRPTAFREED
SCHEMBL3109000 0.69 PTAFR (0.42) PTAFREEDALDH1A1TP53CYP2C19
SCHEMBL14520555 0.67 SETD7 (0.39) ABCB11ALDH1A1TP53CYP1A2CHRM2
SCHEMBL8003376 0.66
SCHEMBL10642347 0.64 ALDH1A1 (0.33) ABCB11ALDH1A1TP53CYP1A2CHRM2
SCHEMBL10375396 0.63 PTAFR (0.34) CFTRPTAFREEDABCB11ALDH1A1

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
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 US disclosed