SCHEMBL20309459

SCHEMBL20309459

CC1C=Cc2c([nH]c3cnccc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 10/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
IKBKB O14920 1/20 0.39
AURKA O14965 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PIM1 P11309 1/20 0.39
TOP1 P11387 1/20 0.39
GABRA1 P14867 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL15926424 0.78 KDM4E (0.43) KDM4EHPGD
SCHEMBL23783716 0.71 CHEK1 (0.33) KDM4EL3MBTL1MAPT
SCHEMBL2243084 0.68 CHUK (0.46) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL21077287 0.67 DYRK1A (0.35)
SCHEMBL2226563 0.65 TP53 (0.55) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL24101511 0.65 HTR1F (0.45) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL24101523 0.65 HTR1F (0.45) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL25847146 0.65 HTR1F (0.45) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL2222291 0.65 SMN1; SMN2 (0.46) CHUKKDM4EGABRPGABRDIKBKB
SCHEMBL14339454 0.65 MAPT (0.47) CHUKKDM4EGABRPGABRDIKBKB

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
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed