SCHEMBL28502959

SCHEMBL28502959

O=C1NCC2(CC2)c2ccc(NC3CCN(C(=O)O)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 5/20 0.38
▸ WDR77 Q9BQA1 5/20 0.38
▸ JAK3 P52333 1/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ROCK2 O75116 4/20 0.35
▸ PDK2 Q15119 2/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL22855472 0.90 PRMT5 (0.47) PRMT5WDR77CYP3A4ROCK2CRBN
SCHEMBL22855681 0.86 PRMT5 (0.44) PRMT5WDR77CYP3A4ROCK2CRBN
SCHEMBL22855214 0.85 GFER (0.38) PRMT5WDR77JAK3CYP3A4ROCK2
SCHEMBL22855632 0.85 ALDH1A1 (0.53) DDB1CRBNMAPT
SCHEMBL22855213 0.80 CDC7 (0.33) PRMT5WDR77JAK3CYP3A4FGFR1
SCHEMBL22855475 0.76 ALDH1A1 (0.45) ROCK2MAPT
SCHEMBL23240775 0.72 PRMT5 (0.53) PRMT5WDR77MAPT
SCHEMBL22855639 0.72 ALDH1A1 (0.46) ROCK2MAPT
SCHEMBL22855638 0.72 KDM4E (0.35) MAPT
SCHEMBL22855637 0.71 CASP3 (0.55) JAK3

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-112125886-A Tricyclic compound serving as PRMT5 inhibitor and application thereof 南京圣和药物研发有限公司 2020-12-25 — — CN disclosed
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