SCHEMBL19974466

SCHEMBL19974466

CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3ncc4cc(CO)n(C5CCCC5)c4n3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.62
CDK1 P06493 3/20 0.59
CDK4 P11802 16/20 0.58
CCND3 P30281 7/20 0.57
CCND1 P24385 9/20 0.57
CCND2 P30279 4/20 0.57
FGFR1 P11362 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
FGFR3 P22607 1/20 0.56
GAK O14976 1/20 0.56
CCNT1 O60563 1/20 0.56
CCNA2 P20248 1/20 0.56
FECH P22830 1/20 0.56
CDK9 P50750 1/20 0.56
CDK6 Q00534 1/20 0.56
CDK16 Q00536 1/20 0.56
MAP3K1 Q13233 1/20 0.56
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56

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
SCHEMBL29519629 0.90 CDK2 (0.67) CDK2CDK1CDK4CCND3CCND1
SCHEMBL28523934 0.90 CDK2 (0.67) CDK2CDK1CDK4CCND3CCND1
SCHEMBL28525121 0.88 CDK4 (0.63) CDK2CDK1CDK4CCND3CCND1
SCHEMBL4832981 0.88 CDK4 (0.74) CDK2CDK4CCND3CCND1CCND2
SCHEMBL2298262 0.88 CDK2 (0.80) CDK2CDK1CDK4CCND3CCND1
SCHEMBL29639522 0.88 CDK2 (0.80) CDK2CDK1CDK4CCND3CCND1
SCHEMBL4828589 0.88 CDK4 (0.70) CDK2CDK4CCND3CCND1CCND2
SCHEMBL15153191 0.88 CDK2 (0.72) CDK2CDK1CDK4CCND3CCND1
SCHEMBL1994429 0.87 CDK2 (0.68) CDK2CDK1CDK4CCND3CCND1
SCHEMBL20677122 0.87 CDK4 (0.71) CDK2CDK1CDK4CCND3CCND1

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-2018051280-A1 PROCESS FOR PREPARATION OF RIBOCICLIB, ITS ACID ADDITION SALTS DR. REDDY’S LABORATORIES LIMITED (IN) 2018-03-22 WO disclosed
WO-2018051280-A1 PROCESS FOR PREPARATION OF RIBOCICLIB, ITS ACID ADDITION SALTS DR. REDDY’S LABORATORIES LIMITED (IN) 2018-03-22 WO disclosed