SCHEMBL25732831

SCHEMBL25732831

CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(-c4cccc(C)c4)nn3)nc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.43
▸ ALDH1A1 P00352 13/20 0.43
▸ HPGD P15428 13/20 0.43
▸ HSD17B10 Q99714 13/20 0.43
▸ CYP3A4 P08684 8/20 0.43
▸ TSHR P16473 3/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ MTOR P42345 2/20 0.38
▸ STK4 Q13043 1/20 0.36
▸ STK3 Q13188 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ PIKFYVE Q9Y2I7 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PIK3R1 P27986 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
SCHEMBL31731044 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25732827 0.92 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL31731024 0.92 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL31730888 0.84 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25732828 0.84 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25279233 0.81 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25234661 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL25231072 0.80 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL31730880 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL31730862 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10CYP3A4

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
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