SCHEMBL29507516

SCHEMBL29507516

COCCN(CCOC)c1ccc(Nc2ncc3cc(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.75
CCND1 P24385 17/20 0.75
CCND2 P30279 11/20 0.75
CCND3 P30281 11/20 0.75
CDK2 P24941 5/20 0.75
CCNA2 P20248 4/20 0.75
CCNA1 P78396 3/20 0.75
FGFR1 P11362 2/20 0.52
FGFR2 P21802 2/20 0.52
FGFR4 P22455 2/20 0.52
FGFR3 P22607 2/20 0.52
CDK1 P06493 1/20 0.50
CDK6 Q00534 2/20 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
SCHEMBL4828588 1.00 CDK4 (0.75) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4833329 0.91 CDK4 (0.64) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29507377 0.91 CDK4 (0.64) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4826567 0.89 CDK4 (0.66) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29507438 0.89 CDK4 (0.66) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4835343 0.89 CDK4 (0.74) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29507462 0.86 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4825491 0.86 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK2
SCHEMBL4833480 0.86 CDK4 (0.64) CDK4CCND1CCND2CCND3CDK2
SCHEMBL29507429 0.86 CDK4 (0.64) CDK4CCND1CCND2CCND3CDK2

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