SCHEMBL29508265

SCHEMBL29508265

COCCOc1ccc(Nc2ncc3cc(CO)c(=O)n(C4CCCC4)c3n2)nc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 20/20 0.64
CDK4 P11802 19/20 0.64
CCND2 P30279 11/20 0.64
CCND3 P30281 11/20 0.64
FGFR1 P11362 2/20 0.63
FGFR2 P21802 2/20 0.63
FGFR4 P22455 2/20 0.63
FGFR3 P22607 2/20 0.63
CDK2 P24941 4/20 0.59
CCNA2 P20248 2/20 0.59
CCNA1 P78396 2/20 0.59
CDK6 Q00534 3/20 0.53
CCNT1 O60563 2/20 0.53
CCNE1 P24864 2/20 0.53
CDK9 P50750 2/20 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
SCHEMBL4834785 1.00 CCND1 (0.64) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4833401 0.93 CCND1 (0.64) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL29507561 0.93 CCND1 (0.64) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL30176553 0.91 CCND1 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4828549 0.91 CCND1 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4828507 0.89 CDK4 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL29507395 0.89 CDK4 (0.65) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL29507429 0.88 CDK4 (0.64) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4833480 0.88 CDK4 (0.64) CCND1CDK4CCND2CCND3FGFR1
SCHEMBL4836035 0.88 CDK4 (0.64) CCND1CDK4CCND2CCND3FGFR1

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