SCHEMBL27115339

SCHEMBL27115339

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.55
PIK3CA P42336 4/20 0.55
PIK3CB P42338 3/20 0.55
MAPT P10636 1/20 0.53
GSK3B P49841 3/20 0.52
CDK2 P24941 2/20 0.52
CDK5 Q00535 2/20 0.52
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
ABL1 P00519 4/20 0.49
BCR P11274 4/20 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
MTOR P42345 2/20 0.48

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
SCHEMBL27115445 0.86 PIK3CG (0.66) PIK3CGPIK3CAPIK3CBMAPTCDK2
SCHEMBL27115896 0.85 PIK3CG (0.76) PIK3CGPIK3CAPIK3CBMAPTGSK3B
SCHEMBL27115277 0.85 PLK1 (0.54) PIK3CGPIK3CAPIK3CBCLK1CLK2
SCHEMBL27116600 0.84 ABL1 (0.57) PIK3CGPIK3CAPIK3CBMAPTCDK5
SCHEMBL5733563 0.84 MAPT (0.72) PIK3CGPIK3CAPIK3CBMAPTCDK2
SCHEMBL27116528 0.84 PIK3CG (0.64) PIK3CGPIK3CAPIK3CBMAPTGSK3B
SCHEMBL12801628 0.81 CAMK2D (0.69) PIK3CGPIK3CAPIK3CBCDK2CDK5
SCHEMBL27115892 0.81 ABL1 (0.59) PIK3CGPIK3CAPIK3CBMAPTCDK5
SCHEMBL27115952 0.80 PIK3CG (0.50) PIK3CGPIK3CAPIK3CBMAPTCDK2
SCHEMBL27115955 0.79 MKNK1 (0.54) PIK3CGPIK3CAPIK3CBMAPTCDK2

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