SCHEMBL31661926

SCHEMBL31661926

CCn1cnnc1-c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)n2cncc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SRC P12931 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL31661862 0.92 HTR6 (0.34) SRC
SCHEMBL31661898 0.90 TTK (0.34) TTKSRC
SCHEMBL31662359 0.89 QPCTL (0.42)
SCHEMBL31662168 0.87 TTK (0.30) TTKSRC
SCHEMBL31662100 0.87
SCHEMBL31662163 0.85 SMN1; SMN2 (0.34) ALDH1A1
SCHEMBL31662219 0.84 SRC (0.33) SRCCYP3A4CYP2D6CYP2C9
SCHEMBL31662173 0.84 KDM4E (0.33) TTKCYP2D6CYP2C9
SCHEMBL31662204 0.82 CYP2D6 (0.36) CYP3A4CYP2D6CYP2C9
SCHEMBL31662074 0.82 CYP2D6 (0.36) CYP3A4CYP2D6CYP2C9

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