SCHEMBL22345790

SCHEMBL22345790

NC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.56
CCND1 P24385 12/20 0.56
CCND3 P30281 7/20 0.54
CDK2 P24941 5/20 0.54
CCNA2 P20248 4/20 0.54
CDK6 Q00534 2/20 0.54
CCND2 P30279 5/20 0.52
FGFR1 P11362 3/20 0.52
FGFR2 P21802 3/20 0.52
FGFR4 P22455 3/20 0.52
FGFR3 P22607 3/20 0.52
GAK O14976 1/20 0.51
CCNT1 O60563 1/20 0.51
FECH P22830 1/20 0.51
CDK9 P50750 1/20 0.51
CDK16 Q00536 1/20 0.51
MAP3K1 Q13233 1/20 0.51
CAMK2G Q13555 1/20 0.51
CAMK2D Q13557 1/20 0.51
Q6ZSR9 Q6ZSR9 1/20 0.51

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
SCHEMBL16486429 0.87 CDK4 (0.66) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL22005325 0.82 CDK4 (0.51) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL4722863 0.80 CDK4 (0.62) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL28632688 0.78 CDK4 (0.60) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL15711678 0.77 CDK4 (0.53) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL21403060 0.76 CDK4 (0.55) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL31366840 0.76 CDK4 (0.57) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL29867980 0.76 CDK4 (0.62) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL4065441 0.75 CDK4 (0.61) CDK4CCND1CCND3CDK2CCNA2
SCHEMBL16486432 0.75 CDK4 (0.49) CDK4CCND1CCND3CDK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333847-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF MPNST Novartis AG (CH) 2024-03-13 EP disclosed
CN-111386272-B Improved preparation method of Riboxib and salt thereof 费森尤斯卡比肿瘤学有限公司 2023-01-06 CN disclosed
WO-2022234409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF MPNST NOVARTIS AG (CH) 2022-11-10 WO disclosed
EP-3923941-A1 PHARMACEUTICAL COMBINATION COMPRISING TNO155 AND RIBOCICLIB Novartis AG (CH) 2021-12-22 EP disclosed
WO-2020165734-A1 PHARMACEUTICAL COMBINATION COMPRISING TNO155 AND RIBOCICLIB NOVARTIS AG (CH) 2020-08-20 WO disclosed