SCHEMBL31662553

SCHEMBL31662553

COC(=O)c1cc(Oc2ccc(N3CC(OCCOCc4ccccc4)C3)cc2)c2c(cnn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.40
FLT3 P36888 8/20 0.39
EGFR P00533 3/20 0.37
LIPG Q9Y5X9 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL31662607 0.93 KIT (0.39) KITFLT3EGFRLIPG
SCHEMBL31662045 0.91 KIT (0.39) KITFLT3EGFRLIPG
SCHEMBL31662262 0.81 LMNA (0.46) MRGPRX4MEN1POLBCYP2C19KMT2A
SCHEMBL31661867 0.78 SCN9A (0.37)
SCHEMBL31662620 0.76 CD38 (0.40) MRGPRX4MEN1KMT2ANPSR1
SCHEMBL31662519 0.75 CA12 (0.41) MEN1KMT2ANPSR1
SCHEMBL31662290 0.74 USP2 (0.39) KMT2ANPSR1
SCHEMBL31662527 0.72 MAPT (0.41) MEN1CYP2C19KMT2A
SCHEMBL31662315 0.72 MAPT (0.41) MEN1KMT2A
SCHEMBL31662294 0.67 HAO1 (0.39) MEN1KMT2A

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
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed