SCHEMBL26458341

SCHEMBL26458341

Cc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.72
CDK2 P24941 4/20 0.72
CCND1 P24385 2/20 0.72
GAK O14976 1/20 0.72
CCNT1 O60563 1/20 0.72
CCNA2 P20248 1/20 0.72
FECH P22830 1/20 0.72
CCND3 P30281 1/20 0.72
CDK9 P50750 1/20 0.72
CDK6 Q00534 1/20 0.72
CDK16 Q00536 1/20 0.72
MAP3K1 Q13233 1/20 0.72
CAMK2G Q13555 1/20 0.72
CAMK2D Q13557 1/20 0.72
Q6ZSR9 Q6ZSR9 1/20 0.72
PRKD2 Q9BZL6 1/20 0.72
SIK2 Q9H0K1 1/20 0.72
CDK1 P06493 7/20 0.71

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
SCHEMBL16882814 0.99 CDK4 (0.71) CDK4CDK2CCND1GAKCCNT1
SCHEMBL31607902 0.90 CDK4 (0.72) CDK4CDK2CCND1GAKCCNT1
SCHEMBL1990676 0.89 CDK1 (0.77) CDK4CDK2CDK1
SCHEMBL30729675 0.89 CDK1 (0.80) CDK4CDK2CCND1GAKCCNT1
SCHEMBL31726934 0.89 CDK1 (0.77) CDK4CDK2CDK1
SCHEMBL1988670 0.89 CDK1 (0.80) CDK4CDK2CCND1GAKCCNT1
SCHEMBL30729677 0.89 CDK1 (0.77) CDK4CDK2CDK1
SCHEMBL2300882 0.88 CDK1 (0.76) CDK4CDK2CDK1
SCHEMBL1990635 0.88 CDK1 (0.71) CDK4CDK2CCND1GAKCCNT1
SCHEMBL31607838 0.88 CDK1 (0.71) CDK4CDK2CCND1GAKCCNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086361-A1 MOLECULAR GLUE DEGRADER COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-04-25 WO disclosed
WO-2023066350-A1 CRBN E3 LIGASE LIGAND COMPOUND, PROTEIN DEGRADING AGENT DEVELOPED ON THE BASIS OF LIGAND COMPOUND, AND THEIR APPLICATIONS 标新生物医药科技(上海)有限公司 2023-04-27 WO disclosed