SCHEMBL27114882

SCHEMBL27114882

NCCOc1cccc(Nc2nccc(-c3ccnc(O)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 4/20 0.54
▸ PIK3CA P42336 3/20 0.54
▸ PIK3CB P42338 3/20 0.54
▸ PRKCD Q05655 2/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ PRKACA P17612 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ CDC42BPA Q5VT25 1/20 0.54
▸ ABL1 P00519 3/20 0.52
▸ BCR P11274 3/20 0.52
▸ SRC P12931 2/20 0.52
▸ PRKCA P17252 2/20 0.52
▸ EGFR P00533 1/20 0.52
▸ CSNK2A1 P68400 2/20 0.52
▸ CAMK2D Q13557 1/20 0.51
▸ AIMP2 Q13155 1/20 0.51
▸ JAK2 O60674 3/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC6 Q9UBN7 3/20 0.50

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
SCHEMBL27115033 0.91 PIK3CG (0.56) PIK3CGPIK3CAPIK3CBPRKCDABL1
SCHEMBL27114961 0.86 PIK3CG (0.59) PIK3CGPIK3CAPIK3CBPRKCDROCK2
SCHEMBL8489648 0.84 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBROCK2ROCK1
SCHEMBL27115034 0.78 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBPRKCDABL1
SCHEMBL8837795 0.78 ABL1 (0.80) PIK3CGPIK3CAPIK3CBPRKCDPRKACA
SCHEMBL27116599 0.78 ABL1 (0.62) PIK3CGPIK3CAPRKCDABL1BCR
SCHEMBL27116472 0.77 CDK2 (0.57) PIK3CGPIK3CAPIK3CBPRKACADYRK1A
SCHEMBL27115444 0.77 PIK3CA (0.69) PIK3CGPIK3CAPIK3CBDYRK1AABL1
SCHEMBL5733933 0.77 CAMK2D (0.71) PIK3CGPIK3CAPIK3CBPRKCDABL1
SCHEMBL13924595 0.75 SYK (0.72) PIK3CGPIK3CAPIK3CBSRCSYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO claimed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
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