SCHEMBL4483758

SCHEMBL4483758

COc1cccc(-c2ccc3c(NC(=O)CC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.67
HDAC2 Q92769 8/20 0.67
HDAC8 Q9BY41 8/20 0.67
HDAC6 Q9UBN7 1/20 0.61
AAK1 Q2M2I8 2/20 0.61
FGFR1 P11362 2/20 0.56
FGFR4 P22455 2/20 0.55
ACHE P22303 1/20 0.53
GSK3B P49841 4/20 0.53
FGFR2 P21802 2/20 0.53
FGFR3 P22607 2/20 0.53
GSK3A P49840 2/20 0.53

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
SCHEMBL4491749 0.91 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4502352 0.91 HDAC1 (0.70) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4491665 0.91 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4493309 0.88 HDAC6 (0.63) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4479320 0.87 AAK1 (0.64) AAK1ACHEGSK3BGSK3A
SCHEMBL4494068 0.87 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4481656 0.86 HDAC1 (0.85) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4498522 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4480795 0.85 AAK1 (0.61) AAK1FGFR1ACHEGSK3BFGFR2
SCHEMBL4488478 0.85 HDAC1 (0.83) HDAC1HDAC2HDAC8HDAC6AAK1

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
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed