SCHEMBL31350907

SCHEMBL31350907

CN(C)CCn1cc2cc(N)c(-c3ccsc3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.41
▸ KDR P35968 3/20 0.40
▸ MAP4K4 O95819 1/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.36
▸ CHEK2 O96017 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL31324364 0.82 IRAK4 (0.41) IRAK4CYP2A6IRAK1MEN1GFER
SCHEMBL31324443 0.82 HTR1D (0.38) HTR1DKDRMAP4K4TGFBR1IRAK4
SCHEMBL31324362 0.80 CYP2A6 (0.34) IRAK4CHEK2BACE1CYP2A6KCNH2
SCHEMBL31324322 0.80 IRAK4 (0.38) MAP4K4TGFBR1IRAK4IRAK1KCNH2
SCHEMBL31351323 0.79 HDAC3 (0.44) KDRFLT1FLT4
SCHEMBL31351104 0.78 IRAK4 (0.37) MAP4K4TGFBR1IRAK4CYP2A6IRAK1
SCHEMBL31350834 0.77 CHEK2 (0.33) IRAK4CHEK2MEN1GFERKMT2A
SCHEMBL31351041 0.75 COMT (0.40) IRAK4IRAK1KCNH2BRAFMAPK3
SCHEMBL31351306 0.75 HTR1D (0.44) HTR1DKDRMAP4K4TGFBR1CHEK2
SCHEMBL5861309 0.71 KDM4E (0.57) KDRIRAK4IRAK1KCNH2MEN1

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-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 — — WO disclosed
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