SCHEMBL25008205

SCHEMBL25008205

CC(C)CC(=O)Nc1n[nH]c2c1CN(C)C2(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 14/20 0.66
▸ CDK2 P24941 14/20 0.66
▸ CCNA1 P78396 14/20 0.66
▸ PAK4 O96013 2/20 0.66
▸ CDK1 P06493 2/20 0.66
▸ CCNB1 P14635 2/20 0.66
▸ CCNE1 P24864 2/20 0.66
▸ GSK3B P49841 2/20 0.66
▸ CDK5 Q00535 2/20 0.66
▸ CDK5R1 Q15078 2/20 0.66
▸ CCNT1 O60563 1/20 0.66
▸ ULK1 O75385 1/20 0.66
▸ PRKD3 O94806 1/20 0.66
▸ CDK4 P11802 1/20 0.66
▸ PHKG2 P15735 1/20 0.66
▸ ERCC2 P18074 1/20 0.66
▸ CCND1 P24385 1/20 0.66
▸ MAPK3 P27361 1/20 0.66
▸ CLK1 P49759 1/20 0.66
▸ CLK2 P49760 1/20 0.66

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
SCHEMBL15095340 0.76 CDK2 (0.56) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL24669470 0.75 CCNA2 (0.82) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL24513389 0.72 CCNA2 (0.66) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL23837261 0.67 CCNA2 (0.54) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL2917754 0.65 CDK2 (0.62) CCNA2CDK2CCNA1PAK4GSK3B
SCHEMBL23185890 0.65 CCNA2 (0.52) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL23837259 0.64 CDK2 (0.46) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL19312125 0.59 CDK2 (0.46) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL23837264 0.59 CCNA2 (0.48) CCNA2CDK2CCNA1PAK4CDK1
SCHEMBL19116481 0.59 MAPK8 (0.39) CCNA2CDK2CCNA1PAK4CDK1

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
EP-4129293-A1 NERVE CELL DEGENERATION INHIBITOR Kyoto University (JP) 2023-02-08 — — EP disclosed
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