SCHEMBL27768636

SCHEMBL27768636

Cc1cc(C)c(NC(=O)c2s[c]nc2C(F)(F)F)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.47
CISD2 Q8N5K1 1/20 0.41
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL774296 0.77 LCK (0.58) LCK
SCHEMBL771512 0.75 LCK (0.70) LCKCISD2ALDH1A1
SCHEMBL27562367 0.71 LCK (0.50) LCKCISD2
SCHEMBL27872725 0.70 POLB (0.33)
SCHEMBL2439830 0.69 GPR35 (0.33)
SCHEMBL14568752 0.69 LCK (0.76) LCK
SCHEMBL6057945 0.68 LCK (0.56) LCK
SCHEMBL15846534 0.68 LCK (0.51) LCK
SCHEMBL6058429 0.68 LCK (0.61) LCK
SCHEMBL6057789 0.67 POLB (0.45) LCKMAPK8

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-101481359-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-07-15 CN disclosed