SCHEMBL31121782

SCHEMBL31121782

CNC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.80
CCND1 P24385 16/20 0.80
CDK6 Q00534 12/20 0.80
CCND3 P30281 4/20 0.80
CDK2 P24941 3/20 0.80
CCNA2 P20248 2/20 0.80
GAK O14976 1/20 0.80
CCNT1 O60563 1/20 0.80
FECH P22830 1/20 0.80
CDK9 P50750 1/20 0.80
CDK16 Q00536 1/20 0.80
MAP3K1 Q13233 1/20 0.80
CAMK2G Q13555 1/20 0.80
CAMK2D Q13557 1/20 0.80
Q6ZSR9 Q6ZSR9 1/20 0.80
PRKD2 Q9BZL6 1/20 0.80
SIK2 Q9H0K1 1/20 0.80
CDK1 P06493 1/20 0.77
CCND2 P30279 3/20 0.73
CCNA1 P78396 1/20 0.72

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
SCHEMBL29507623 1.00 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL303542 1.00 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
Dimethylamine SCHEMBL28726027 0.92 CDK4 (0.80) CDK4CCND1CDK6CCND3CDK2
SCHEMBL23837859 0.91 CDK4 (0.83) CDK4CCND1CDK6CCND3CDK2
SCHEMBL29507453 0.91 CDK4 (0.81) CDK4CCND1CDK6CCND3CDK2
SCHEMBL2685016 0.91 CDK4 (0.81) CDK4CCND1CDK6CCND3CDK2
SCHEMBL2362403 0.90 CDK4 (0.76) CDK4CCND1CDK6CCND3CDK2
SCHEMBL20980374 0.90 CDK4 (0.68) CDK4CCND1CDK6CCND3CDK2
Ribociclib SCHEMBL302310 0.89 CDK4 (1.00) CDK4CCND1CDK6CCND3CDK2
Ribociclib SCHEMBL29384231 0.89 CDK4 (1.00) CDK4CCND1CDK6CCND3CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4687891-A1 METHOD OF TREATING EARLY BREAST CANCER WITH RIBOCICLIB IN COMBINATION WITH AN AROMATASE INHIBITOR Novartis AG (CH) 2026-02-11 EP disclosed
WO-2024201299-A1 METHOD OF TREATING EARLY BREAST CANCER WITH RIBOCICLIB IN COMBINATION WITH AN AROMATASE INHIBITOR NOVARTIS AG (CH) 2024-10-03 WO disclosed