SCHEMBL29507585

SCHEMBL29507585

CN(C)C1CCN(c2ccc(Nc3ncc4cc(C#N)n(C5CCCC5)c4n3)nc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 1.00
CDK1 P06493 2/20 1.00
CDK4 P11802 18/20 0.72
CDK6 Q00534 9/20 0.72
CCND1 P24385 6/20 0.57
CCNA2 P20248 3/20 0.57
CCND3 P30281 2/20 0.57
GAK O14976 1/20 0.57
CCNT1 O60563 1/20 0.57
FECH P22830 1/20 0.57
CDK9 P50750 1/20 0.57
CDK16 Q00536 1/20 0.57
MAP3K1 Q13233 1/20 0.57
CAMK2G Q13555 1/20 0.57
CAMK2D Q13557 1/20 0.57
Q6ZSR9 Q6ZSR9 1/20 0.57
PRKD2 Q9BZL6 1/20 0.57
SIK2 Q9H0K1 1/20 0.57
CCND2 P30279 1/20 0.56
CCNA1 P78396 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
SCHEMBL303554 1.00 CDK2 (1.00) CDK2CDK1CDK4CDK6CCND1
SCHEMBL1995714 0.87 CDK2 (0.77) CDK2CDK1CDK4CDK6CCND1
SCHEMBL1990685 0.84 CDK2 (0.73) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22165001 0.84 CDK2 (0.73) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22164997 0.84 CDK2 (0.73) CDK2CDK1CDK4CDK6CCND1
SCHEMBL20677140 0.84 CDK4 (1.00) CDK2CDK1CDK4CDK6CCND1
SCHEMBL20683903 0.84 CDK2 (0.72) CDK2CDK1CDK4CDK6CCND1
SCHEMBL305495 0.84 CDK2 (0.72) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507546 0.84 CDK4 (0.73) CDK2CDK1CDK4CDK6CCND1
SCHEMBL11977187 0.83 CDK1 (0.71) CDK2CDK1CDK4CDK6CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP claimed
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN claimed
EP-4126244-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT Jiangsu Alphamab Biopharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN disclosed