SCHEMBL31049266

SCHEMBL31049266

N#Cc1cn(CCCCn2cccn2)c2ncc(F)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ GRIN2B Q13224 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ IKBKE Q14164 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ REN P00797 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
SCHEMBL31049264 0.72 SMN1; SMN2 (0.45) L3MBTL1MAPTHTTGSK3BLMNA
SCHEMBL16263096 0.70 XDH (0.44) L3MBTL1MAPTMEN1ALDH1A1KMT2A
SCHEMBL31049261 0.68 KDM4E (0.37) L3MBTL1MAPTHTTGSK3BGRIN2B
SCHEMBL31049359 0.68 HTT (0.37) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL31049365 0.68 HTT (0.36) L3MBTL1MAPTHTTLMNASMN1; SMN2
SCHEMBL7854517 0.65 ELANE (0.60) L3MBTL1MAPTHTTGSK3BLMNA
SCHEMBL31049503 0.64 AR (0.32) —
SCHEMBL7100687 0.63 DAO (0.43) L3MBTL1MAPTHTTALDH1A1KCNA3
SCHEMBL31049367 0.61 GRIN2B (0.36) L3MBTL1MAPTHTTGRIN2BMEN1
SCHEMBL31049343 0.61 GRIN2B (0.32) L3MBTL1GRIN2BALDH1A1KCNA3KCNA5

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
CN-118359627-A MTA synergistic PRMT5 inhibitor compounds having a tetracyclic fused ring structure 烨辉医药科技(上海)有限公司 2024-07-19 — — CN disclosed
Send feedback