SCHEMBL27429699

SCHEMBL27429699

CCC(=O)Nc1cccc(Oc2nc(N3CCN(C)CC3)nc3nccnc23)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.51
▸ NUAK2 Q9H093 2/20 0.51
▸ NUAK1 O60285 2/20 0.51
▸ SRC P12931 2/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ JAK3 P52333 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ BMX P51813 1/20 0.42

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
SCHEMBL27429703 0.83 NPC1 (0.48) EGFRSRCNPC1RAB9AJAK3
SCHEMBL27429693 0.80 BRAF (0.47) EGFRSRCNPC1RAB9AJAK3
SCHEMBL27429690 0.74 HRH4 (0.43) —
SCHEMBL1275994 0.72 NPC1 (0.48) EGFRNUAK2NUAK1SRCNPC1
SCHEMBL27429710 0.71 HTR2C (0.64) SRCSMN1; SMN2
SCHEMBL27429801 0.70 JAK3 (0.47) EGFRJAK3JAK2BLK
SCHEMBL12806188 0.69 NPC1 (0.51) EGFRSRCNPC1RAB9ASMN1; SMN2
SCHEMBL29809871 0.69 EGFR (0.57) EGFRNUAK2NUAK1SRCJAK3
SCHEMBL31060495 0.68 EGFR (1.00) EGFRNUAK2NUAK1JAK3JAK2
SCHEMBL29714319 0.68 NUAK2 (0.89) EGFRNUAK2NUAK1JAK3JAK2

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-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — WO disclosed
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