SCHEMBL31390358

SCHEMBL31390358

C1=C(c2ccc3ncsc3c2)NCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.47
▸ RIPK1 Q13546 1/20 0.45
▸ PFKFB3 Q16875 1/20 0.40
▸ TGFBR1 P36897 13/20 0.40
▸ APP P05067 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RIPK2 O43353 3/20 0.38
▸ LCK P06239 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ SMAD2 Q15796 1/20 0.38
▸ IKBKB O14920 2/20 0.37
▸ CHUK O15111 2/20 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
SCHEMBL31390348 0.90 RIPK2 (0.46) DYRK1ATGFBR1RIPK2LCKKDR
SCHEMBL31214345 0.75 DYRK1A (0.72) DYRK1ARIPK1PFKFB3TGFBR1APP
SCHEMBL5440581 0.70 DYRK1A (0.53) DYRK1ARIPK1PFKFB3TGFBR1APP
SCHEMBL2461409 0.68 DYRK1A (0.50) DYRK1ARIPK1PFKFB3TGFBR1APP
SCHEMBL2460153 0.68 RIPK2 (0.55) DYRK1ARIPK1PFKFB3APPKDM4E
SCHEMBL24365752 0.68 NAMPT (0.35) —
SCHEMBL6032917 0.67 DYRK1A (0.62) DYRK1ARIPK1PFKFB3TGFBR1APP
SCHEMBL23480164 0.67 DYRK1A (0.57) DYRK1ARIPK1PFKFB3TGFBR1APP
SCHEMBL24155396 0.66 DYRK1A (0.60) DYRK1ARIPK1TGFBR1APPKDM4E
SCHEMBL22130152 0.66 DYRK1A (0.70) DYRK1ARIPK1PFKFB3TGFBR1APP

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-119176814-A PRMT5 inhibitor and application thereof 艾立康药业股份有限公司 2024-12-24 — — CN disclosed
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