SCHEMBL29508256

SCHEMBL29508256

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N(C)C)cn3)ncc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.76
CCND1 P24385 19/20 0.76
CCND2 P30279 15/20 0.76
CCND3 P30281 15/20 0.76
CCNA2 P20248 5/20 0.59
CDK2 P24941 5/20 0.59
CCNA1 P78396 3/20 0.59
CCNB2 O95067 2/20 0.59
CCNE2 O96020 2/20 0.59
CDK1 P06493 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNE1 P24864 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
FGFR1 P11362 1/20 0.59
FGFR2 P21802 1/20 0.59
FGFR4 P22455 1/20 0.59
FGFR3 P22607 1/20 0.59
CDK6 Q00534 2/20 0.53
CHEK1 O14757 1/20 0.53
DAPK3 O43293 1/20 0.53

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
SCHEMBL4825350 1.00 CDK4 (0.76) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL30176492 0.90 CDK4 (0.70) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4827112 0.90 CDK4 (0.70) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL29507574 0.90 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4828582 0.90 CDK4 (0.80) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4833150 0.88 CDK4 (0.82) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4825399 0.86 CDK4 (0.78) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL29507558 0.86 CDK4 (0.78) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL4832821 0.86 CDK4 (1.00) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL29507441 0.84 CDK4 (0.88) CDK4CCND1CCND2CCND3CCNA2

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 3 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
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