SCHEMBL27109893

SCHEMBL27109893

CNc1ccnc(NC2CCCCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 2/20 0.58
▸ CTSK P43235 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK8 P45983 1/20 0.54
▸ HRH4 Q9H3N8 3/20 0.52
▸ CDK1 P06493 4/20 0.51
▸ CCNB1 P14635 4/20 0.51
▸ CDK4 P11802 3/20 0.51
▸ CCNA2 P20248 3/20 0.51
▸ CCND1 P24385 3/20 0.51
▸ CDK2 P24941 3/20 0.51
▸ CCNA1 P78396 3/20 0.51
▸ PIK3C3 Q8NEB9 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NUDT1 P36639 1/20 0.49
▸ CCNE1 P24864 1/20 0.48
▸ CCND3 P30281 1/20 0.48
▸ CDK6 Q00534 1/20 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
SCHEMBL25607003 0.98 GPR39 (0.56) GPR39CTSKKDM4EGAAMAPK8
SCHEMBL19477097 0.84 HRH3 (0.56) GPR39MAPK8HRH4CDK1CCNB1
SCHEMBL19477096 0.83 BRD4 (0.47) HRH4CDK2CCNE1
SCHEMBL1033751 0.80 CTSK (0.60) CTSKKDM4EGAAMAPK8HRH4
SCHEMBL18920813 0.80 CTSK (0.60) CTSKKDM4EGAAMAPK8HRH4
SCHEMBL91484 0.80 CTSK (0.60) CTSKKDM4EGAAMAPK8HRH4
SCHEMBL31060624 0.79 MAPK8 (0.66) CTSKKDM4EGAAMAPK8CDK1
SCHEMBL19477384 0.79 PAK4 (0.49) GPR39MAPK8HRH4CDK1CCNB1
SCHEMBL19477350 0.79 PAK4 (0.49) GPR39MAPK8HRH4CDK1CCNB1
SCHEMBL3451468 0.78 CTSK (0.58) CTSKKDM4EGAAMAPK8HRH4

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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