SCHEMBL31435264

SCHEMBL31435264

CC1CC(C(=O)Nc2ccnc(C(F)(F)F)c2)CCN1Cc1noc(-c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.42
GSK3B P49841 2/20 0.40
MAPK14 Q16539 1/20 0.40
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
S1PR1 P21453 3/20 0.36
KDR P35968 6/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRAF P15056 4/20 0.36
MPL P40238 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL31435223 1.00 ACKR3 (0.42) ACKR3GSK3BMAPK14HDAC4HDAC6
SCHEMBL31435225 0.88 UBE2M (0.46) ACKR3KDM4EMEN1USP2LMNA
SCHEMBL31435222 0.88 UBE2M (0.46) ACKR3KDM4EMEN1USP2LMNA
SCHEMBL31435231 0.88 UBE2M (0.46) ACKR3KDM4EMEN1USP2LMNA
SCHEMBL31435228 0.87 GSK3B (0.43) ACKR3GSK3BMAPK14S1PR1KDR
SCHEMBL31435267 0.87 GSK3B (0.43) ACKR3GSK3BMAPK14S1PR1KDR
SCHEMBL31435230 0.86 ACKR3 (0.46) ACKR3GSK3BMAPK14S1PR1
SCHEMBL31435258 0.86 ACKR3 (0.46) ACKR3GSK3BMAPK14S1PR1
SCHEMBL31435252 0.86 ACKR3 (0.38) ACKR3GSK3BMAPK14S1PR1KDR
SCHEMBL31435233 0.86 ACKR3 (0.38) ACKR3GSK3BMAPK14S1PR1KDR

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-2025090928-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2025-05-01 WO disclosed