SCHEMBL29507502

SCHEMBL29507502

Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CCND1 P24385 16/20 1.00
CCND2 P30279 11/20 1.00
CCND3 P30281 11/20 1.00
FGFR1 P11362 5/20 0.81
FGFR2 P21802 5/20 0.81
FGFR4 P22455 5/20 0.81
FGFR3 P22607 5/20 0.81
NUAK1 O60285 1/20 0.81
CCNA2 P20248 5/20 0.74
CDK2 P24941 5/20 0.74
CCNA1 P78396 4/20 0.74
CDK6 Q00534 7/20 0.72
CDK1 P06493 3/20 0.70
CCNB1 P14635 3/20 0.70
FLT3 P36888 3/20 0.70
CHEK1 O14757 1/20 0.70
DAPK3 O43293 1/20 0.70
CCNT1 O60563 1/20 0.70
CCNT2 O60583 1/20 0.70

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
SCHEMBL4835935 1.00 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL4830677 0.99 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6944231 0.89 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL27394857 0.89 CDK4 (0.80) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL7071397 0.89 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL15874562 0.87 CDK4 (0.77) CDK4CCND1CCND2CCND3FGFR1
Hydrochloric Acid SCHEMBL6938660 0.86 CDK4 (0.98) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL24073209 0.86 CDK4 (0.75) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL6222296 0.85 CDK4 (1.00) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL19630085 0.85 CDK4 (0.79) CDK4CCND1CCND2CCND3FGFR1

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