SCHEMBL27114961

SCHEMBL27114961

COc1cc(-c2ccnc(Nc3cccc(OCCN)c3)n2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 5/20 0.59
▸ PIK3CA P42336 4/20 0.59
▸ PIK3CB P42338 4/20 0.59
▸ CDK5 Q00535 2/20 0.53
▸ MTOR P42345 1/20 0.52
▸ SMG1 Q96Q15 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ PRKCD Q05655 2/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CDC42BPA Q5VT25 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ AIMP2 Q13155 1/20 0.51
▸ GSK3B P49841 2/20 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
SCHEMBL27115034 0.91 PIK3CG (0.60) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL27115896 0.88 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL27114882 0.86 PIK3CG (0.54) PIK3CGPIK3CAPIK3CBCDK5PRKCD
SCHEMBL27115445 0.82 PIK3CG (0.66) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL27116600 0.81 ABL1 (0.57) PIK3CGPIK3CAPIK3CBCDK5SMG1
SCHEMBL27116528 0.80 PIK3CG (0.64) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL5733563 0.80 MAPT (0.72) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL8837800 0.80 ABL1 (0.76) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL27115339 0.78 PIK3CG (0.55) PIK3CGPIK3CAPIK3CBCDK5MTOR
SCHEMBL27116598 0.78 PIK3CG (0.83) PIK3CGPIK3CAPIK3CBCDK5MTOR

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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