SCHEMBL9958245

SCHEMBL9958245

O=C(O)Nc1cc(C2(C(F)(F)F)CC2)on1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.43
KIT P10721 7/20 0.43
BRAF P15056 2/20 0.43
KDR P35968 5/20 0.41
NEK7 Q8TDX7 2/20 0.40
KCNH2 Q12809 2/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9958035 0.94 FLT3 (0.40) FLT3KITBRAFKDRNEK7
SCHEMBL18424542 0.87 KIT (0.44) FLT3KITBRAFKDRNEK7
SCHEMBL25793273 0.81 KIT (0.41) FLT3KITBRAFKDRNEK7
SCHEMBL1012949 0.81 BRAF (0.47) FLT3KITBRAFKDR
SCHEMBL27217912 0.78 SMN1; SMN2 (0.44) KDRTSHRMEN1KMT2A
SCHEMBL23966921 0.76 FAAH (0.47) FLT3KITBRAFKDR
SCHEMBL2533492 0.75 NEK7 (0.35) FLT3KITBRAFKDRNEK7
SCHEMBL27217824 0.75 SMN1; SMN2 (0.42) TSHRMEN1KMT2A
SCHEMBL24133584 0.74 HCAR2 (0.32) FLT3KITBRAFKDR
SCHEMBL1255991 0.74 NEK7 (0.49) FLT3KITBRAFKDRNEK7

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-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed