SCHEMBL25733331

SCHEMBL25733331

COc1ccn(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(C4CC4)c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.43
▸ CNR1 P21554 9/20 0.43
▸ PDE10A Q9Y233 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL31730946 1.00 CNR2 (0.43) CNR2CNR1PDE10AHDAC1ALDH1A1
SCHEMBL25733242 0.85 CNR2 (0.38) CNR2CNR1PDE10AALDH1A1HSD17B10
SCHEMBL31731048 0.85 CNR2 (0.38) CNR2CNR1PDE10AALDH1A1HSD17B10
SCHEMBL31730929 0.83 CNR2 (0.46) CNR2CNR1PDE10AHDAC1ALDH1A1
SCHEMBL25733267 0.83 CNR2 (0.46) CNR2CNR1PDE10AHDAC1ALDH1A1
SCHEMBL25281801 0.82 LMNA (0.48) CNR2CNR1PDE10AALDH1A1HSD17B10
SCHEMBL31730882 0.82 PIK3CA (0.41) CNR2CNR1PDE10AALDH1A1HSD17B10
SCHEMBL25732836 0.82 PIK3CA (0.41) CNR2CNR1PDE10AALDH1A1HSD17B10
SCHEMBL31730971 0.82 CNR2 (0.43) CNR2CNR1PDE10AALDH1A1HSD17B10
SCHEMBL25732832 0.82 CNR2 (0.43) CNR2CNR1PDE10AALDH1A1HSD17B10

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-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
Send feedback