SCHEMBL27868085

SCHEMBL27868085

N#Cc1cccc(NNF)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
IDO1 P14902 1/20 0.49
KCNA5 P22460 1/20 0.47
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CDC7 O00311 1/20 0.44
SYK P43405 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
GRM4 Q14833 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL27564648 0.83 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL17192714 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL28200178 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL18630198 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL5253033 0.80 MAPT (0.50) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL953597 0.79 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL28378797 0.76 MAPT (0.57) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL25062056 0.75 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL361389 0.75 MAPT (0.53) MAPTALDH1A1KMT2AMEN1IDO1
SCHEMBL14042535 0.75 MAPT (0.58) MAPTALDH1A1KMT2AMEN1IDO1

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-102459172-B Tetracyclic compound CHUGAI PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN disclosed