SCHEMBL25733406

SCHEMBL25733406

CN1CCC(c2ccn(-c3nc(N4CCOCC4)c4nc(-c5ccncc5)n(C)c4n3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.43
▸ ALDH1A1 P00352 11/20 0.43
▸ HPGD P15428 11/20 0.43
▸ HSD17B10 Q99714 11/20 0.43
▸ PDE10A Q9Y233 1/20 0.40
▸ CYP3A4 P08684 6/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ PIK3CD O00329 5/20 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
SCHEMBL31730892 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL25274245 0.95 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL25733517 0.95 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL31730846 0.95 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL31730977 0.91 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL25733537 0.91 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL31730860 0.90 HDAC3 (0.40) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL25733600 0.90 HDAC3 (0.40) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL25236774 0.89 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10PDE10A
SCHEMBL30254842 0.89 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10PDE10A

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