SCHEMBL27116133

SCHEMBL27116133

COc1cc(-c2ccnc(Nc3ccccc3F)n2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ CCNB2 O95067 2/20 0.51
▸ CDK1 P06493 2/20 0.51
▸ CCNB1 P14635 2/20 0.51
▸ CCNB3 Q8WWL7 2/20 0.51
▸ RET P07949 1/20 0.51
▸ PIK3CG P48736 7/20 0.47
▸ CAMKK2 Q96RR4 5/20 0.47
▸ MAPK8 P45983 4/20 0.47
▸ PIK3CA P42336 4/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ GSK3B P49841 2/20 0.46
▸ AURKA O14965 1/20 0.45
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ PIK3CB P42338 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL27116074 0.91 PIK3CG (0.48) CDK4CDK2CCNB2CDK1CCNB1
SCHEMBL27115952 0.83 PIK3CG (0.50) CDK2PIK3CGPIK3CAPIK3CBMEN1
SCHEMBL27116075 0.82 CCNB2 (0.55) CDK4CDK2CCNB2CDK1CCNB1
SCHEMBL27116600 0.82 ABL1 (0.57) PIK3CGPIK3CAPIK3CBMEN1NPC1
SCHEMBL27116135 0.81 GSK3B (0.53) CDK2PIK3CGPIK3CAGSK3BPIK3CB
SCHEMBL27115275 0.80 PIK3CG (0.55) CDK4CDK2PIK3CGPIK3CAGSK3B
SCHEMBL27148413 0.80 IGF1R (0.49) CDK4CDK2CDK1CCNB1PIK3CG
SCHEMBL27116528 0.80 PIK3CG (0.64) CDK4CDK2PIK3CGPIK3CAGSK3B
SCHEMBL27115955 0.77 MKNK1 (0.54) CDK2PIK3CGPIK3CAPIK3CBMEN1
SCHEMBL27115445 0.77 PIK3CG (0.66) CDK2CCNB2CDK1CCNB1CCNB3

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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