SCHEMBL28040118

SCHEMBL28040118

Cln1cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.45
KDR P35968 3/20 0.39
MAP4K4 O95819 2/20 0.39
PRKACA P17612 2/20 0.39
CDK8 P49336 2/20 0.39
MAP2K1 Q02750 2/20 0.39
MAP4K2 Q12851 2/20 0.39
ROCK1 Q13464 2/20 0.39
DYRK1A Q13627 2/20 0.39
AURKB Q96GD4 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CHEK1 O14757 1/20 0.39
CSF1R P07333 1/20 0.39
ACVR1 Q04771 1/20 0.39
ALDH1A1 P00352 1/20 0.38
EGLN2 Q96KS0 1/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL28110914 0.73 CYP11B1 (0.55) ALDH1A1KDM4EMAPTCYP11B1CYP11B2
SCHEMBL6444709 0.70 PCSK9 (0.73) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL28277444 0.70 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL8881198 0.70 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL16152323 0.70 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL9019096 0.70 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL28231026 0.70 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL2165710 0.68 PCSK9 (0.44) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL347805 0.68 PCSK9 (0.53) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL15089192 0.67 GLO1 (0.42) KDRALDH1A1CYP1A2KDM4EMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008367-B It is used as the pyrrolo-triazine class compound of potassium channel inhibitors 百时美施贵宝公司 2017-08-29 CN disclosed
CN-105008367-A Pyrrolotriazines as potassium ion channel inhibitors BRISTOL MYERS SQUIBB CO 2015-10-28 CN disclosed