SCHEMBL8363605

SCHEMBL8363605

CC(C)Nc1ncc(-c2cc(N)cc(C(F)(F)F)c2)n(CC(=O)OC(C)(C)C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.50
SOS1 Q07889 4/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL6793924 0.88 F7 (0.54) F7SOS1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL6795206 0.87 F7 (0.53) F7SOS1GRIN1GRIN2B
SCHEMBL6796881 0.78 F7 (0.49) F7
SCHEMBL8360265 0.77 F7 (0.65) F7
SCHEMBL8360173 0.77 F7 (0.71) F7
SCHEMBL8363577 0.76 F7 (0.73) F7
SCHEMBL8360246 0.76 F7 (0.73) F7
SCHEMBL8360919 0.76 F7 (0.68) F7
SCHEMBL6795150 0.76 F7 (0.55) F7
SCHEMBL8361853 0.76 F7 (0.69) F7

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
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed