SCHEMBL5482114

SCHEMBL5482114

CC[N+](CC)(c1nc(C=Cc2ccc(Br)cc2)nc2cc(Cl)ccc12)C(C)CCCN

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.40
CSK P41240 1/20 0.37
BTK Q06187 1/20 0.37
ERBB4 Q15303 1/20 0.37
CAMK1G Q96NX5 1/20 0.37

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
SCHEMBL3540938 0.76 FLT3 (0.42) FLT3
SCHEMBL6667816 0.70 FLT3 (0.42) FLT3CSKBTKERBB4CAMK1G
SCHEMBL6667818 0.70 FLT3 (0.42) FLT3CSKBTKERBB4CAMK1G
SCHEMBL3540936 0.70 FLT3 (0.42) FLT3CSKBTKERBB4CAMK1G
SCHEMBL3540934 0.70 FLT3 (0.42) FLT3CSKBTKERBB4CAMK1G
SCHEMBL3536853 0.69 FLT3 (0.71) FLT3CSKBTKERBB4CAMK1G
SCHEMBL3536852 0.69 FLT3 (0.71) FLT3CSKBTKERBB4CAMK1G
SCHEMBL9767845 0.68 FERMT2 (0.47)
SCHEMBL17829598 0.66 FLT3 (0.73) FLT3
SCHEMBL3533587 0.64 TUBB4A (0.39) FLT3

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
EP-1854509-A2 Methods and compositions for restoring conformational stability of a protein of the p53 family Pfizer Products Inc. (US) 2007-11-14 EP claimed