SCHEMBL29138090

SCHEMBL29138090

O=C(Nc1c(F)ccc(F)c1F)c1ccc(-c2ccncn2)c(-c2ccncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPL P40238 9/20 0.44
KDR P35968 7/20 0.41
TEK Q02763 7/20 0.41
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 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
SCHEMBL29138054 0.89 PDE4D (0.45) MPLKDRTEKLCKBRAF
SCHEMBL29138064 0.82 MPL (0.45) MPLKDRTEKLCKBRAF
SCHEMBL29138058 0.81 RAB9A (0.58) KDRTEK
SCHEMBL29138039 0.81 KDR (0.52) MPLKDRTEK
SCHEMBL29138066 0.78 NPC1 (0.51) KDRTEKABL1LCKBRAF
SCHEMBL29138086 0.78 KDR (0.62) KDRTEKLCKBRAFMAPK14
SCHEMBL13123119 0.74 RAB9A (0.57)
SCHEMBL29138040 0.73 POLB (0.44) KDRTEK
SCHEMBL29138051 0.72 AR (0.41) KDRTEKAAK1
SCHEMBL8615570 0.70 MPL (0.41) MPLMAPK14

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-117343081-A MAT2A inhibitor, pharmaceutical composition and application thereof 南京正大天晴制药有限公司 2024-01-05 CN disclosed