SCHEMBL27116135

SCHEMBL27116135

COc1cc(-c2ccnc(Nc3ccc(F)c(F)c3)n2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.53
▸ PIK3CG P48736 6/20 0.53
▸ PIK3CA P42336 5/20 0.53
▸ CDK2 P24941 2/20 0.51
▸ PIK3CB P42338 5/20 0.50
▸ EIF2AK2 P19525 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CDK5 Q00535 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ IKBKB O14920 1/20 0.48
▸ CHUK O15111 1/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ PLK1 P53350 1/20 0.46

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
SCHEMBL27115275 0.85 PIK3CG (0.55) GSK3BPIK3CGPIK3CACDK2PIK3CB
SCHEMBL27116528 0.84 PIK3CG (0.64) GSK3BPIK3CGPIK3CACDK2PIK3CB
SCHEMBL27116134 0.82 GSK3B (0.52) GSK3BPIK3CGPIK3CACDK2EIF2AK2
SCHEMBL27116600 0.82 ABL1 (0.57) PIK3CGPIK3CAPIK3CBMAPTCDK5
SCHEMBL27115955 0.82 MKNK1 (0.54) PIK3CGPIK3CACDK2PIK3CBMAPT
SCHEMBL5733563 0.82 MAPT (0.72) PIK3CGPIK3CACDK2PIK3CBMAPT
SCHEMBL16941489 0.82 ABL1 (0.61) GSK3BPIK3CGPIK3CACDK2PIK3CB
SCHEMBL27115445 0.81 PIK3CG (0.66) PIK3CGPIK3CACDK2PIK3CBMAPT
SCHEMBL27115273 0.81 PIK3CG (0.51) GSK3BPIK3CGPIK3CACDK2PIK3CB
SCHEMBL27116133 0.81 CDK4 (0.53) GSK3BPIK3CGPIK3CACDK2PIK3CB

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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