SCHEMBL30979381

SCHEMBL30979381

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(Br)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.47
PDGFRB P09619 6/20 0.42
FGFR1 P11362 6/20 0.42
KDR P35968 6/20 0.42
PDGFRA P16234 2/20 0.42
FLT1 P17948 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR4 P22455 2/20 0.42
FGFR3 P22607 2/20 0.42
FLT4 P35916 2/20 0.42
ABL1 P00519 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
KIT P10721 1/20 0.42
NTRK3 Q16288 1/20 0.42
MELK Q14680 9/20 0.42
CHEK1 O14757 3/20 0.42
PRKAB2 O43741 3/20 0.42
NUAK1 O60285 3/20 0.42

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
SCHEMBL4506062 1.00 AAK1 (0.47) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL4506065 1.00 AAK1 (0.47) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL851519 0.92 AAK1 (0.50) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL30577753 0.92 AAK1 (0.50) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL851520 0.92 AAK1 (0.50) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL16366047 0.92 AAK1 (0.47) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL30577752 0.92 AAK1 (0.50) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL4485414 0.91 AAK1 (0.46) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL4501637 0.91 MELK (0.48) AAK1PDGFRBFGFR1KDRPDGFRA
SCHEMBL4485411 0.91 AAK1 (0.46) AAK1PDGFRBFGFR1KDRPDGFRA

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
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed