SCHEMBL27429693

SCHEMBL27429693

CCC(=O)Nc1cccc(Nc2nc(N3CCCN(C)CC3)nc3nccnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ EGFR P00533 3/20 0.42
▸ SRC P12931 4/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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 0.96 NPC1 (0.48) BRAFNPC1RAB9AJAK3EGFR
SCHEMBL27429699 0.80 EGFR (0.51) NPC1RAB9AJAK3EGFRSRC
SCHEMBL27248325 0.79 HPGD (0.54) BRAFJAK3L3MBTL1
SCHEMBL27248330 0.79 L3MBTL1 (0.58) JAK3EGFRSRCL3MBTL1
SCHEMBL27248319 0.78 HRH4 (0.46) BRD4L3MBTL1
SCHEMBL27429695 0.78 HRH4 (0.49) L3MBTL1
SCHEMBL27429710 0.77 HTR2C (0.64) SRCBRD4
SCHEMBL27430722 0.76 HTR2C (0.44) SRCL3MBTL1
SCHEMBL27430646 0.75 HRH4 (0.41) BRAFSRCBRD4L3MBTL1
SCHEMBL27248311 0.75 HPGD (0.58) JAK3L3MBTL1

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
Send feedback