SCHEMBL4346687

SCHEMBL4346687

CC(C)C(=O)Nc1cnc2[nH]cc(C=CC(=O)NCc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.49
▸ PLAU P00749 1/20 0.43
▸ BTK Q06187 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL4346683 1.00 GSK3B (0.49) GSK3BPLAUBTKHDAC1MMP1
SCHEMBL4343841 0.87 GSK3B (0.51) GSK3BPLAUHDAC1MMP1MMP2
SCHEMBL4343847 0.87 GSK3B (0.51) GSK3BPLAUHDAC1MMP1MMP2
SCHEMBL4344181 0.87 HDAC1 (0.52) GSK3BPLAUHDAC1MMP1MMP2
SCHEMBL4344188 0.87 HDAC1 (0.52) GSK3BPLAUHDAC1MMP1MMP2
SCHEMBL24758015 0.81 PLAU (0.60) GSK3BPLAUHDAC1MMP1MMP2
SCHEMBL31107440 0.81 PLAU (0.60) GSK3BPLAUHDAC1MMP1MMP2
SCHEMBL4350420 0.80 MAP3K7 (0.46) BTK
SCHEMBL4350414 0.80 MAP3K7 (0.46) BTK
SCHEMBL4346212 0.77 GSK3B (0.58) GSK3BHDAC1MMP1MMP2MMP9

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
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 — — EP claimed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 — — EP disclosed
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