SCHEMBL27728879

SCHEMBL27728879

CSc1nc(Nc2c(F)cccc2F)c(C=O)c(-c2ccc(F)cc2CN)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CA13 Q8N1Q1 2/20 0.32
HSP90AB1 P08238 2/20 0.31
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
CDK2 P24941 3/20 0.30
CDK9 P50750 3/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30

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
SCHEMBL1064841 0.86 HSP90AB1 (0.44) CA1CA2CA7MAPK1HTT
SCHEMBL27570091 0.83 LMNA (0.44) CA1CA2CA7CA13HSP90AB1
SCHEMBL4467853 0.81 CA1 (0.37) CA1CA2CA7CA13HSP90AB1
SCHEMBL1060727 0.81 CA1 (0.38) CA1CA2CA7MAPK1HTT
SCHEMBL1065963 0.79 HSP90AB1 (0.45) CA1CA2CA7MAPK1HTT
SCHEMBL4487332 0.79 CA1 (0.36) CA1CA2CA7HTTCA13
SCHEMBL4475432 0.77 MAPT (0.35) CA1CA2CA7MAPK1HTT
SCHEMBL4391958 0.76 HSP90AB1 (0.44) MAPK1HTTHSP90AB1SRCABL1
SCHEMBL1063918 0.75 HSP90AB1 (0.43) CA1CA2CA7MAPK1HTT
SCHEMBL4479224 0.75 CA1 (0.47) CA1CA2CA7MAPK1HTT

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-101360497-A Novel methods and formulations GLAXO GROUP LTD (GB) 2009-02-04 CN disclosed