SCHEMBL30335652

SCHEMBL30335652

FC(F)(F)c1ccccc1Nc1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.60
CDK4 P11802 2/20 0.56
CCND3 P30281 2/20 0.56
GSK3B P49841 2/20 0.56
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
RET P07949 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
CAMK2D Q13557 6/20 0.53
PRKCA P17252 2/20 0.51
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
PRKCD Q05655 1/20 0.51
AURKA O14965 1/20 0.50
PIK3CG P48736 3/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL2956376 0.81 PLK1 (0.68) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL15533101 0.81 CCNB2 (0.55) CDK4CCND3GSK3BCCNB2CDK1
SCHEMBL25980185 0.80 PLK1 (0.65) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL30554577 0.80 PLK1 (0.56) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL30554576 0.80 PLK1 (0.56) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL30554522 0.80 PLK1 (0.65) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL25981630 0.80 PLK1 (0.56) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL2946515 0.80 PLK1 (0.77) PLK1CDK4CCND3GSK3BCAMK2D
SCHEMBL14651462 0.78 PLK1 (0.84) PLK1CDK4GSK3BCDK1CCNB1
SCHEMBL15533961 0.78 CAMKK2 (0.53) GSK3BCCNB2CDK1RETCCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230152314-A1 LIPOCALIN-2 ASSAY FOR INTESTINAL ADAPTATION THE JOHNS HOPKINS UNIVERSITY 2023-05-18 US disclosed