SCHEMBL4485505

SCHEMBL4485505

CC(Oc1ccccc1)C(=O)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.59
GSK3A P49840 2/20 0.59
HDAC6 Q9UBN7 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
FGFR1 P11362 1/20 0.54
FGFR2 P21802 1/20 0.54
FGFR3 P22607 1/20 0.54
CYP1A2 P05177 1/20 0.50
ADORA3 P0DMS8 3/20 0.49
ADORA2A P29274 3/20 0.49
ADORA1 P30542 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC8 Q9BY41 4/20 0.48

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
SCHEMBL4503333 0.92 GSK3B (0.58) GSK3BGSK3AHDAC6MEN1KMT2A
SCHEMBL4496312 0.92 GSK3B (0.60) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4487636 0.89 HDAC6 (0.52) GSK3BGSK3AHDAC6MEN1KMT2A
SCHEMBL4503245 0.89 ADORA3 (0.62) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4495236 0.89 HDAC6 (0.63) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4559708 0.88 ADORA3 (0.58) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4505048 0.88 GSK3B (0.49) GSK3BGSK3AHDAC6MEN1KMT2A
SCHEMBL4480882 0.88 GSK3B (0.59) GSK3BGSK3AHDAC6MEN1KMT2A
SCHEMBL4493674 0.88 HDAC6 (0.64) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4492067 0.87 FGFR1 (0.58) GSK3BGSK3AHDAC6FGFR1FGFR2

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