SCHEMBL20070692

SCHEMBL20070692

c1ccc(-c2nc(-c3ccc(-c4ccc5[nH]c6cc7ccc8c(c7cc6c5c4)c4cccc5c6ccccc6n8c54)cc3)nc(-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.39
CCND1 P24385 6/20 0.39
ALK Q9UM73 1/20 0.35
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 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
SCHEMBL20071460 0.80 KDM4E (0.32) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20071702 0.79 AHR (0.42) CDK4CCND1KDM4EALDH1A1MAPT
SCHEMBL18239191 0.78 PTGES (0.38) CDK4CCND1KDM4EALDH1A1MAPT
SCHEMBL18239195 0.78 PTGES (0.38) CDK4CCND1KDM4EALDH1A1MAPT
SCHEMBL20070698 0.77 GABRP (0.39) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL18239110 0.77 ALDH1A1 (0.40) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20200151 0.77 PTGES (0.37) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20200154 0.77 PTGES (0.37) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL20200155 0.75 PTGES (0.39) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL18239143 0.75 PTGES (0.39) KDM4EALDH1A1MAPTHPGDTSHR

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
WO-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed