SCHEMBL27109892

SCHEMBL27109892

c1cc(C2CCCCCC2)nc(NC2CCCCCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CDK1 P06493 5/20 0.52
▸ CCNB1 P14635 5/20 0.52
▸ CDK2 P24941 5/20 0.52
▸ CDK4 P11802 3/20 0.52
▸ CCNA2 P20248 3/20 0.52
▸ CCND1 P24385 3/20 0.52
▸ CCNA1 P78396 3/20 0.52
▸ CHRNA7 P36544 1/20 0.51
▸ CCNB2 O95067 2/20 0.50
▸ CCNB3 Q8WWL7 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ HRH4 Q9H3N8 2/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ INSR P06213 1/20 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
SCHEMBL1033751 0.78 CTSK (0.60) CTSKKDM4EGAACDK1CCNB1
SCHEMBL91484 0.78 CTSK (0.60) CTSKKDM4EGAACDK1CCNB1
SCHEMBL21012156 0.78 CTSK (0.60) CTSKKDM4EGAACDK1CCNB1
SCHEMBL20606073 0.78 CTSK (0.60) CTSKKDM4EGAACDK1CCNB1
SCHEMBL18920813 0.78 CTSK (0.60) CTSKKDM4EGAACDK1CCNB1
SCHEMBL91478 0.76 CTSK (0.58) CTSKKDM4EGAACDK1CCNB1
SCHEMBL10187331 0.76 CTSK (0.58) CTSKKDM4EGAACDK1CCNB1
SCHEMBL3451468 0.76 CTSK (0.58) CTSKKDM4EGAACDK1CCNB1
SCHEMBL27109893 0.75 GPR39 (0.58) CTSKKDM4EGAACDK1CCNB1
SCHEMBL16273403 0.75 HRH4 (0.46) CTSKCDK1CCNB1CDK2CDK4

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 1 patent. 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 disclosed
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