SCHEMBL25344679

SCHEMBL25344679

COc1cc(F)ccc1-n1ncc(C#N)c1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 1/20 0.57
XDH P47989 2/20 0.41
LPAR1 Q92633 3/20 0.40
F2 P00734 1/20 0.40
GLA P06280 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CSNK2A1 P68400 1/20 0.38
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 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
SCHEMBL8046922 0.86 KMT2A (0.53) KMT2AKDM4EMEN1XDHLPAR1
SCHEMBL26521773 0.86 KMT2A (0.56) KMT2AKDM4EMEN1XDHLPAR1
SCHEMBL30120685 0.84 KMT2A (0.59) KMT2AKDM4EMEN1XDHF2
SCHEMBL1457153 0.84 KMT2A (0.59) KMT2AKDM4EMEN1XDHF2
SCHEMBL8047268 0.83 KMT2A (0.61) KMT2AKDM4EMEN1XDHGLA
SCHEMBL3985313 0.82 KMT2A (0.64) KMT2AKDM4EMEN1XDHMAPK14
SCHEMBL838963 0.80 KMT2A (0.61) KMT2AKDM4EMEN1XDHF2
SCHEMBL840418 0.80 KMT2A (0.61) KMT2AKDM4EMEN1XDHRXFP1
SCHEMBL8049394 0.80 KMT2A (0.61) KMT2AKDM4EMEN1XDHMAPK14
SCHEMBL25343727 0.78 PTGS1 (0.48) ALDH1A1EGFRERBB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743465-A1 BICYCLIC MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
WO-2025012195-A1 BICYCLIC MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed