SCHEMBL29944125

SCHEMBL29944125

CCOC(=O)C(C(=O)OCC)c1ccnc(N2CCN(c3cc(Cl)nnc3N)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.41
▸ IDE P14735 1/20 0.40
▸ OPRD1 P41143 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMARCA2 P51531 2/20 0.34
▸ SMARCA4 P51532 2/20 0.34
▸ PANK3 Q9H999 2/20 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
SCHEMBL23630351 1.00 PIK3CA (0.41) PIK3CAIDEOPRD1KCNH2SMO
SCHEMBL23630383 0.77 PIK3CA (0.48) PIK3CAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29944012 0.77 PIK3CA (0.47) PIK3CAMEN1KMT2ASMARCA2SMARCA4
SCHEMBL23630466 0.77 PIK3CA (0.47) PIK3CAMEN1KMT2ASMARCA2SMARCA4
SCHEMBL29943886 0.76 PIK3CA (0.54) PIK3CAALDH1A1GAA
SCHEMBL23630405 0.76 PIK3CA (0.54) PIK3CAALDH1A1GAA
SCHEMBL29944433 0.76 CKS1B (0.47) PIK3CAIDEOPRD1KCNH2SMO
SCHEMBL23630396 0.76 CKS1B (0.47) PIK3CAIDEOPRD1KCNH2SMO
SCHEMBL23630379 0.76 GABRP (0.45) PIK3CAOPRD1PANK3GRM5
SCHEMBL29944108 0.76 GABRP (0.45) PIK3CAOPRD1PANK3GRM5

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
EP-4087658-A1 SMARCA2-VHL DEGRADERS Amgen Inc. (US) 2022-11-16 — — EP disclosed
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