SCHEMBL25171195

SCHEMBL25171195

CCn1cc(-c2c(NCc3cc(F)cnc3OC(C)CNC(=O)OC(C)(C)C)nc3c(C(=O)OC)cnn3c2N(Cc2ccccc2)Cc2ccccc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.33
▸ JAK1 P23458 6/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ JAK2 O60674 7/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ GHSR Q92847 1/20 0.30

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
SCHEMBL25839577 0.93 ALDH1A1 (0.35) KDM4EALDH1A1JAK2L3MBTL1HPGD
SCHEMBL25839656 0.91 ALDH1A1 (0.33) KDM4EALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL25416742 0.91 ALDH1A1 (0.34) KDM4EALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL25839652 0.89 ALDH1A1 (0.31) KDM4EALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL25839563 0.89 ALDH1A1 (0.34) KDM4EALDH1A1JAK2L3MBTL1HPGD
SCHEMBL30309824 0.89 ALDH1A1 (0.34) KDM4EALDH1A1JAK2L3MBTL1HPGD
SCHEMBL25118110 0.84 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL25839761 0.84 ALDH1A1 (0.35) KDM4EALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL25839621 0.82 KDM4E (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL25117858 0.82 MKNK2 (0.30) —

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-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 — — WO disclosed
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