SCHEMBL27780826

SCHEMBL27780826

CC=Cn1c(=O)ncc2ccc(F)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ MAPT P10636 3/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ CCND2 P30279 2/20 0.32
▸ CCND3 P30281 2/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 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
SCHEMBL27780894 0.88 HTR2A (0.37) HTR2AHTR2CMAPTMAT2ACYP11B1
SCHEMBL28799118 0.82 HTR2A (0.36) HTR2AHTR2CMAPTMAT2ACDK4
SCHEMBL28779598 0.78 HTR2C (0.36) HTR2AHTR2CMAT2AATMCDC7
SCHEMBL28799146 0.71 HTR2A (0.36) HTR2AHTR2CMAPTCYP11B1CYP11B2
SCHEMBL27780825 0.71 PLK1 (0.40) HTR2AHTR2CMAPTCYP11B1CYP11B2
SCHEMBL23549006 0.69 MAT2A (0.54) MAPTMAT2ACDK4CCND1CCND2
SCHEMBL30894482 0.69 MAT2A (0.54) MAPTMAT2ACDK4CCND1CCND2
SCHEMBL29093852 0.69 HTR2A (0.35) HTR2AHTR2CMAPTCDK4CCND1
SCHEMBL29093832 0.67 HTR2A (0.34) HTR2AHTR2CMAPTCDK4CCND1
SCHEMBL30095703 0.64 KDM4E (0.42) HTR2AHTR2CMAPTCYP11B1CYP11B2

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-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 — — CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 — — CN disclosed
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