SCHEMBL19980555

SCHEMBL19980555

O=Cc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.73
CCND1 P24385 18/20 0.73
CCND3 P30281 10/20 0.73
CCND2 P30279 9/20 0.73
CCNA2 P20248 7/20 0.73
CDK2 P24941 7/20 0.73
CCNA1 P78396 4/20 0.73
FGFR1 P11362 7/20 0.73
FGFR2 P21802 7/20 0.73
FGFR4 P22455 7/20 0.73
FGFR3 P22607 7/20 0.73
CDK6 Q00534 3/20 0.72
GAK O14976 1/20 0.69
CCNT1 O60563 1/20 0.69
FECH P22830 1/20 0.69
CDK9 P50750 1/20 0.69
CDK16 Q00536 1/20 0.69
MAP3K1 Q13233 1/20 0.69
CAMK2G Q13555 1/20 0.69
CAMK2D Q13557 1/20 0.69

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
SCHEMBL19055321 0.89 CDK4 (0.70) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL23767757 0.86 CDK2 (0.68) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL19711448 0.86 CDK4 (0.56) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6221730 0.85 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL29507453 0.85 CDK4 (0.81) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6222296 0.85 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6221400 0.85 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL2685016 0.85 CDK4 (0.81) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL6222070 0.85 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2
SCHEMBL4833026 0.84 CDK4 (1.00) CDK4CCND1CCND3CCND2CCNA2

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-4005573-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Novartis AG (CH) 2022-06-01 EP disclosed
EP-3340990-B1 PHARMACEUTICAL COMBINATIONS COMPRISING (A) THE CYCLIN DEPENDENT KINASE 4/6 (CDK4/6) INHIBITOR LEE011 (=RIBOCICLIB), AND (B) THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) INHIBITOR ERLOTINIB, FOR THE TREATMENT OR PREVENTION OF CANCER NOVARTIS AG (CH) 2019-09-25 EP disclosed
EP-3038652-B1 COMBINATION OF AN ALK INHIBITOR AND A CDK INHIBITOR FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2018-03-21 EP disclosed