SCHEMBL31661890

SCHEMBL31661890

COCC(=O)N1CCC(OCCOc2ccc(Oc3cc4c(cnn4C)cc3C(N)=O)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.37
KCNH2 Q12809 2/20 0.37
NTRK2 Q16620 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SYK P43405 1/20 0.37
JAK3 P52333 1/20 0.37
NTRK3 Q16288 1/20 0.35
POLB P06746 3/20 0.35
NAMPT P43490 1/20 0.35
KDM1A O60341 1/20 0.34
SCN9A Q15858 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
SCHEMBL31662291 0.94 NTRK1 (0.38) NTRK1KCNH2NTRK2NTRK3KDM1A
SCHEMBL31661904 0.92 CCNC (0.34) JAK2JAK1SYKJAK3SCN9A
SCHEMBL31661986 0.90 CHEK2 (0.40) NTRK1KCNH2NTRK2JAK2JAK3
SCHEMBL31662101 0.89 MAPT (0.38) NTRK1KCNH2NTRK2MAPTKMT2A
SCHEMBL31661960 0.89 SCN1A (0.37) MAPTJAK2JAK1SYKJAK3
SCHEMBL31662113 0.89 SCN9A (0.39) SYKSCN9A
SCHEMBL31662232 0.87 SCN9A (0.34) NTRK1JAK2JAK1SYKJAK3
SCHEMBL31662561 0.86 CHEK2 (0.44)
SCHEMBL31661991 0.86 DRD2 (0.41) POLB
SCHEMBL31662165 0.85 IRAK4 (0.37) NTRK1JAK2JAK1SYKJAK3

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