SCHEMBL4769220

SCHEMBL4769220

CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(N)ncn4)cc3)cc2C(F)(F)F)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.75
CDK8 P49336 2/20 0.75
CDK1 P06493 1/20 0.75
SRC P12931 7/20 0.71
ABL1 P00519 7/20 0.70
FGFR4 P22455 5/20 0.70
KDR P35968 3/20 0.70
MKNK2 Q9HBH9 3/20 0.70
HCK P08631 2/20 0.70
MKNK1 Q9BUB5 2/20 0.70
FGFR1 P11362 2/20 0.70
BRAF P15056 2/20 0.70
MAPK14 Q16539 2/20 0.70
TNNI3K Q59H18 2/20 0.70
AXL P30530 2/20 0.70
FLT3 P36888 2/20 0.70
MERTK Q12866 2/20 0.70
ABL2 P42684 2/20 0.70
STK25 O00506 1/20 0.70
CIT O14578 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
SCHEMBL29827937 1.00 CDK2 (0.75) CDK2CDK8CDK1SRCABL1
SCHEMBL4762420 0.93 SRC (0.81) CDK2CDK8CDK1SRCABL1
SCHEMBL3177191 0.92 SRC (0.68) CDK2CDK8CDK1SRCABL1
SCHEMBL4936999 0.91 SRC (0.68) CDK2CDK8CDK1SRCABL1
SCHEMBL4937797 0.91 SRC (0.72) CDK2CDK8CDK1SRCABL1
SCHEMBL4941049 0.90 SRC (0.66) CDK2CDK8CDK1SRCABL1
SCHEMBL4792487 0.89 SRC (0.88) CDK2CDK8CDK1SRCABL1
SCHEMBL22528915 0.89 SRC (0.76) CDK2CDK8CDK1SRCABL1
SCHEMBL22528795 0.87 SRC (0.72) CDK2CDK8CDK1SRCABL1
SCHEMBL21939208 0.86 AXL (0.76) CDK2CDK8CDK1SRCABL1

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-1511730-B1 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2008-12-10 EP claimed
CN-115108998-B Compounds for resisting hepatitis B virus and application thereof 重庆医科大学 2023-06-30 CN disclosed
CN-115108998-A Compound for resisting hepatitis B virus and application thereof 重庆医科大学 2022-09-27 CN disclosed