SCHEMBL28046484

SCHEMBL28046484

Clc1nccc2cnc(C3CCCCC3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ABL1 P00519 1/20 0.41
▸ TBK1 Q9UHD2 1/20 0.37
▸ KMO O15229 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ AURKA O14965 3/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ PRKCA P17252 3/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ TYK2 P29597 3/20 0.33
▸ KDR P35968 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32

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
SCHEMBL9939615 0.72 L3MBTL1 (0.61) L3MBTL1ABL1TBK1KMOPROKR1
SCHEMBL21405684 0.72 BACE1 (0.42) ABL1MAPTCYP11B2KMT5BKMT5C
SCHEMBL30532198 0.72 BACE1 (0.42) ABL1MAPTCYP11B2KMT5BKMT5C
SCHEMBL7707654 0.72 PROKR1 (0.44) L3MBTL1KMOPROKR1CHRNA7CYP11B2
SCHEMBL31219695 0.71 CYP17A1 (0.35) L3MBTL1ABL1AURKAJAK2PRKCA
SCHEMBL28798602 0.71 L3MBTL1 (0.41) L3MBTL1ABL1TBK1KMOMAPT
SCHEMBL22288137 0.70 L3MBTL1 (0.58) L3MBTL1ABL1KMOKDM4ECYP11B2
SCHEMBL30452394 0.70 L3MBTL1 (0.58) L3MBTL1ABL1KMOKDM4ECYP11B2
SCHEMBL20623030 0.70 L3MBTL1 (0.58) L3MBTL1ABL1KMOKDM4ECYP11B2
SCHEMBL25243084 0.68 L3MBTL1 (0.37) L3MBTL1KMOPROKR1CYP11B2ALOX5AP

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
CN-103261167-B 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof HOFFMAN-LA ROCHE LTD. (CH) 2016-05-04 — — CN disclosed
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