SCHEMBL28708282

SCHEMBL28708282

CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(N)c2N)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.43
KDR P35968 3/20 0.42
FLT1 P17948 1/20 0.42
AAK1 Q2M2I8 4/20 0.41
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
AXL P30530 1/20 0.37

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
SCHEMBL29837320 0.88 KDR (0.49) BRAFKDRFLT1AXL
SCHEMBL2315935 0.88 KDR (0.49) BRAFKDRFLT1AXL
SCHEMBL29837321 0.88 KDR (0.49) BRAFKDRFLT1AXL
SCHEMBL28697205 0.87 BRAF (0.40) BRAFKDRFLT1AAK1LMNA
SCHEMBL28690805 0.86 KDR (0.41) BRAFKDRFLT1
SCHEMBL28690910 0.85 KDR (0.42) BRAFKDRFLT1
SCHEMBL22919877 0.85 KDR (0.47) BRAFKDRFLT1
SCHEMBL28706557 0.85 ABL1 (0.47) BRAFKDRFLT1AXL
SCHEMBL3751510 0.84 BRAF (0.43) BRAFKDRFLT1
SCHEMBL28684763 0.84 KDR (0.40) KDRFLT1AAK1

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-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed