SCHEMBL31648334

SCHEMBL31648334

CCCCCNc1nc2nc(NC(=O)CC(C)(C)C)c(Br)cc2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FGFR1 P11362 3/20 0.42
▸ BRD4 O60885 7/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ AR P10275 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ GPR84 Q9NQS5 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
SCHEMBL31647800 0.77 TLR7 (0.33) HPGDTLR7TLR8
SCHEMBL31648433 0.73 FGFR1 (0.45) FGFR1KMT2A
SCHEMBL31648010 0.73 RAB9A (0.44) HPGDNPC1RAB9AFGFR1SMN1; SMN2
SCHEMBL31648474 0.71 FGFR1 (0.48) FGFR1KMT2A
SCHEMBL31647970 0.66 ABL1 (0.34) SMN1; SMN2TLR7TLR8
SCHEMBL20121987 0.63 CASP2 (0.59) SMN1; SMN2MEN1KMT2A
SCHEMBL7154511 0.62 MAPT (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13178762 0.62 HPGD (0.59) HPGDNPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL23567476 0.62 CASP2 (0.62) SMN1; SMN2MEN1KMT2A
SCHEMBL20121986 0.62 CASP2 (0.62) SMN1; SMN2MEN1KMT2A

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-2025132449-A1 NOVEL COMPOUNDS FOR HOST DIRECTED ANTIVIRAL STRATEGY SORBONNE UNIVERSITE (FR) 2025-06-26 — — WO disclosed
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