SCHEMBL31531255

SCHEMBL31531255

Nc1ncnc2[nH]nc(-c3ccc(NC(=O)Nc4cccc(OC(F)(F)F)c4)cc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.56
KDR P35968 12/20 0.52
FLT1 P17948 6/20 0.52
TEK Q02763 6/20 0.52
KIT P10721 5/20 0.52
AURKB Q96GD4 4/20 0.52
ROCK2 O75116 3/20 0.52
AURKA O14965 3/20 0.52
LIMK1 P53667 2/20 0.52
MAP4K4 O95819 2/20 0.52
CHEK2 O96017 2/20 0.52
LCK P06239 2/20 0.52
LYN P07948 2/20 0.52
RET P07949 2/20 0.52
FGFR1 P11362 2/20 0.52
RPS6KB1 P23443 2/20 0.52
EPHA2 P29317 2/20 0.52
FLT4 P35916 2/20 0.52
FRK P42685 2/20 0.52
SYK P43405 2/20 0.52

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
SCHEMBL31531262 0.83 FLT3 (0.57) FLT3KDRFLT1TEKKIT
SCHEMBL11149 0.81 BTK (0.51) KDRRIPK1
SCHEMBL21467072 0.79 TRPA1 (0.41) FGFR1
SCHEMBL31531270 0.75 FLT3 (0.59) FLT3KDRFLT1KITROCK2
SCHEMBL3836444 0.75 FLT3 (0.49) FLT3KDRFLT1TEKKIT
Trifluoroacetic Acid SCHEMBL29836326 0.74 NUDT14 (0.52) KDRTEKLCKLYNBLK
SCHEMBL20793915 0.73 TTK (0.47) FLT3KDRFLT1TEKKIT
SCHEMBL4865620 0.73 PTK2 (0.54) FLT3KDRAURKBAURKAPTK2
SCHEMBL31531241 0.72 KIT (0.85) FLT3KDRFLT1KITLCK
SCHEMBL17229949 0.72 FLT3 (1.00) FLT3KDRKITBRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN claimed
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN disclosed