SCHEMBL4490916

SCHEMBL4490916

O=C(Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.59
GSK3A P49840 3/20 0.55
CDK2 P24941 1/20 0.55
FGFR1 P11362 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR3 P22607 1/20 0.55
HDAC6 Q9UBN7 7/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 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
SCHEMBL4494227 0.91 HDAC6 (0.65) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4495985 0.90 GSK3A (0.54) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4482462 0.89 GSK3B (0.63) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4494101 0.87 HDAC6 (0.57) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4494277 0.86 HDAC6 (0.68) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4496168 0.86 GSK3B (0.62) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4498134 0.86 GSK3B (0.60) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4492652 0.86 MAPK1 (0.55) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4488599 0.86 HDAC6 (0.66) GSK3BGSK3ACDK2FGFR1FGFR2
SCHEMBL4497998 0.86 HDAC6 (0.65) GSK3BGSK3ACDK2FGFR1FGFR2

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